Benzene and substituted derivatives
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Bis(triphenylphosphine)palladium(II) chloride, for analysis, 15% Pd
CAS: 13965-03-2 Molecular Formula: C36H30Cl2P2Pd Molecular Weight (g/mol): 701.90 MDL Number: MFCD00009593 InChI Key: YNHIGQDRGKUECZ-UHFFFAOYSA-L Synonym: bis triphenylphosphine palladium ii dichloride,bis triphenylphosphine palladium ii chloride,dichlorobis triphenylphosphine palladium,bis triphenylphosphine palladium chloride,bis triphenylphosphine palladiuml ii dichloride,palladium 2+ ; triphenylphosphane; dichloride,trans-dichlorobis triphenylphosphine palladium ii 1g PubChem CID: 131664180 IUPAC Name: ethane;methane;palladium(2+);triphenylphosphane;dichloride SMILES: [Cl-].[Cl-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 131664180 |
|---|---|
| CAS | 13965-03-2 |
| Molecular Weight (g/mol) | 701.90 |
| MDL Number | MFCD00009593 |
| SMILES | [Cl-].[Cl-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | bis triphenylphosphine palladium ii dichloride,bis triphenylphosphine palladium ii chloride,dichlorobis triphenylphosphine palladium,bis triphenylphosphine palladium chloride,bis triphenylphosphine palladiuml ii dichloride,palladium 2+ ; triphenylphosphane; dichloride,trans-dichlorobis triphenylphosphine palladium ii 1g |
| IUPAC Name | ethane;methane;palladium(2+);triphenylphosphane;dichloride |
| InChI Key | YNHIGQDRGKUECZ-UHFFFAOYSA-L |
| Molecular Formula | C36H30Cl2P2Pd |
2,4-Dinitroaniline, 99% (dry wt.), cont. up to 15% water
CAS: 97-02-9 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007151 InChI Key: LXQOQPGNCGEELI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline PubChem CID: 7321 ChEBI: CHEBI:34242 IUPAC Name: 2,4-dinitroaniline SMILES: NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 7321 |
|---|---|
| CAS | 97-02-9 |
| Molecular Weight (g/mol) | 183.12 |
| ChEBI | CHEBI:34242 |
| MDL Number | MFCD00007151 |
| SMILES | NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
| Synonym | benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline |
| IUPAC Name | 2,4-dinitroaniline |
| InChI Key | LXQOQPGNCGEELI-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3O4 |
PBDE 15, TRC
CAS: 2050-47-7 Molecular Formula: C12 H8 Br2 O Molecular Weight (g/mol): 328 Synonym: Benzene, 1,1'-oxybis[4-bromo-,Ether, bis(p-bromophenyl) (6CI,7CI,8CI),1,1'-Oxybis[4-bromobenzene],4,4'-Dibromodiphenyl ether,BDE 15,Bis(4-bromophenyl) ether,Bis(bromophenyl) ether,Bis(p-bromophenyl) ether,Di(4-bromophenyl) ether,NSC 1787,NSC 9487,PBDE 15,p,p'-Dibromodiphenyl ether IUPAC Name: 1-bromo-4-(4-bromophenoxy)benzene SMILES: Brc1ccc(Oc2ccc(Br)cc2)cc1
| CAS | 2050-47-7 |
|---|---|
| Molecular Weight (g/mol) | 328 |
| SMILES | Brc1ccc(Oc2ccc(Br)cc2)cc1 |
| Synonym | Benzene, 1,1'-oxybis[4-bromo-,Ether, bis(p-bromophenyl) (6CI,7CI,8CI),1,1'-Oxybis[4-bromobenzene],4,4'-Dibromodiphenyl ether,BDE 15,Bis(4-bromophenyl) ether,Bis(bromophenyl) ether,Bis(p-bromophenyl) ether,Di(4-bromophenyl) ether,NSC 1787,NSC 9487,PBDE 15,p,p'-Dibromodiphenyl ether |
| IUPAC Name | 1-bromo-4-(4-bromophenoxy)benzene |
| Molecular Formula | C12 H8 Br2 O |
3-Cyanophenylhydrazine Hydrochloride (contains ~15% inorganics), TRC
CAS: 2881-99-4 Molecular Formula: C7H8ClN3 Molecular Weight (g/mol): 169.61 IUPAC Name: 3-hydrazinylbenzonitrile;hydrochloride SMILES: Cl.NNc1cccc(c1)C#N
| CAS | 2881-99-4 |
|---|---|
| Molecular Weight (g/mol) | 169.61 |
| SMILES | Cl.NNc1cccc(c1)C#N |
| IUPAC Name | 3-hydrazinylbenzonitrile;hydrochloride |
| Molecular Formula | C7H8ClN3 |
N-(Ethylamino) Fluvoxamine (up to 15% Z isomer), TRC
CAS: 1217262-11-7 Molecular Formula: C17 H26 F3 N3 O2 Molecular Weight (g/mol): 361.4 Synonym: 1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-[2-[(2-aminoethyl)amino]ethyl]oxime,N-[2-[[[5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]ethyl]ethane-1,2-diamine,N-(Ethylamino) Fluvoxamine,N-(Ethylamino)fluvoxamine,EP Impurity F,5-Methoxy-1-[4-(trifluoromethyl)phenyl]- 1-pentanone O-[2-[(2-Aminoethyl)amino]ethyl]oxime,N-[2-[[[5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]ethyl]ethane-1,2-diamine,N-(Ethylamino) Fluvoxamine (up to 15% Z isomer) IUPAC Name: N'-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]ethane-1,2-diamine SMILES: COCCCCC(=NOCCNCCN)c1ccc(cc1)C(F)(F)F
| CAS | 1217262-11-7 |
|---|---|
| Molecular Weight (g/mol) | 361.4 |
| SMILES | COCCCCC(=NOCCNCCN)c1ccc(cc1)C(F)(F)F |
| Synonym | 1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-[2-[(2-aminoethyl)amino]ethyl]oxime,N-[2-[[[5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]ethyl]ethane-1,2-diamine,N-(Ethylamino) Fluvoxamine,N-(Ethylamino)fluvoxamine,EP Impurity F,5-Methoxy-1-[4-(trifluoromethyl)phenyl]- 1-pentanone O-[2-[(2-Aminoethyl)amino]ethyl]oxime,N-[2-[[[5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]ethyl]ethane-1,2-diamine,N-(Ethylamino) Fluvoxamine (up to 15% Z isomer) |
| IUPAC Name | N'-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]ethane-1,2-diamine |
| Molecular Formula | C17 H26 F3 N3 O2 |
Veratrole, 99+%
CAS: 91-16-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Synonym: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC Name: 1,2-dimethoxybenzene SMILES: COC1=CC=CC=C1OC
| PubChem CID | 7043 |
|---|---|
| CAS | 91-16-7 |
| Molecular Weight (g/mol) | 138.17 |
| ChEBI | CHEBI:59114 |
| MDL Number | MFCD00008357 |
| SMILES | COC1=CC=CC=C1OC |
| Synonym | veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy |
| IUPAC Name | 1,2-dimethoxybenzene |
| InChI Key | ABDKAPXRBAPSQN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Benzyl Alcohol, 99%, Pure
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
Benzyl alcohol, ACS, 99+%
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
trans-Anethole, 99%
CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC
| PubChem CID | 637563 |
|---|---|
| CAS | 4180-23-8 |
| Molecular Weight (g/mol) | 148.2 |
| ChEBI | CHEBI:35616 |
| MDL Number | MFCD00009284 |
| SMILES | CC=CC1=CC=C(C=C1)OC |
| Synonym | anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole |
| IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI Key | RUVINXPYWBROJD-ONEGZZNKSA-N |
| Molecular Formula | C10H12O |
Benzyl alcohol, 99%
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
Dimethyl terephthalate, 99%
CAS: 120-61-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008440 InChI Key: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonym: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate PubChem CID: 8441 SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 8441 |
|---|---|
| CAS | 120-61-6 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00008440 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate |
| InChI Key | WOZVHXUHUFLZGK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
Thermo Scientific Chemicals Tetrabromophenolphthalein ethyl ester, pure
CAS: 1176-74-5 Molecular Formula: C22H14Br4O4 Molecular Weight (g/mol): 661.96 MDL Number: MFCD00066387 InChI Key: SQFXATUXPUCFFO-UHFFFAOYSA-N Synonym: tetrabromophenolphthalein ethyl ester,3',3,5',5-tetrabromophenolphthalein ethyl ester,ethyl tetrabromophenolphthalein,unii-6d91ns781o,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl benzoate,3 inverted exclamation marka,3 inverted exclamation marka,5 inverted exclamation marka,5 inverted exclamation marka-tetrabromophenolphthalein ethyl ester,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester,benzoic acid,2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-,ethyl ester,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene methyl benzoate PubChem CID: 92873 IUPAC Name: ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate SMILES: CCOC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br
| PubChem CID | 92873 |
|---|---|
| CAS | 1176-74-5 |
| Molecular Weight (g/mol) | 661.96 |
| MDL Number | MFCD00066387 |
| SMILES | CCOC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br |
| Synonym | tetrabromophenolphthalein ethyl ester,3',3,5',5-tetrabromophenolphthalein ethyl ester,ethyl tetrabromophenolphthalein,unii-6d91ns781o,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl benzoate,3 inverted exclamation marka,3 inverted exclamation marka,5 inverted exclamation marka,5 inverted exclamation marka-tetrabromophenolphthalein ethyl ester,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester,benzoic acid,2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-,ethyl ester,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene methyl benzoate |
| IUPAC Name | ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate |
| InChI Key | SQFXATUXPUCFFO-UHFFFAOYSA-N |
| Molecular Formula | C22H14Br4O4 |
Isoeugenol, 98+%, mixture of cis/trans isomers
CAS: 97-54-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009285 InChI Key: BJIOGJUNALELMI-ONEGZZNKSA-N Synonym: isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene PubChem CID: 853433 ChEBI: CHEBI:50545 SMILES: COC1=CC(\C=C\C)=CC=C1O
| PubChem CID | 853433 |
|---|---|
| CAS | 97-54-1 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:50545 |
| MDL Number | MFCD00009285 |
| SMILES | COC1=CC(\C=C\C)=CC=C1O |
| Synonym | isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene |
| InChI Key | BJIOGJUNALELMI-ONEGZZNKSA-N |
| Molecular Formula | C10H12O2 |
Ethyl 4-hydroxybenzoate, 99%
CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 8434 |
|---|---|
| CAS | 120-47-8 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:86616 |
| MDL Number | MFCD00002353 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)O |
| Synonym | ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e |
| IUPAC Name | ethyl 4-hydroxybenzoate |
| InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
5,5'-Dithiobis-(2-nitrobenzoic acid), 99%
CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
| PubChem CID | 6254 |
|---|---|
| CAS | 69-78-3 |
| Molecular Weight (g/mol) | 396.34 |
| ChEBI | CHEBI:86228 |
| MDL Number | MFCD00007140 |
| SMILES | OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O |
| Synonym | dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid |
| IUPAC Name | 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid |
| InChI Key | KIUMMUBSPKGMOY-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2O8S2 |