Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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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

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Specifications

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

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Specifications

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

Pricing and Availability
Specifications

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

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Specifications

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

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Specifications

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

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Specifications

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

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Specifications

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

Lanolin, anhydrous, USP

CAS: 8006-54-0 Synonym: dmt-2'o-tbdms-rc ac phosphoramidite,dmt-2'o-tbdms-rc ac phosphoramidite, configured for abi,dmt-2'o-tbdms-rc ac phosphoramidite, configured for mermade,ac-c-ce phosphoramidite,dmt-2'o-tbdms-rc ac amidite,dmt-2'o-tbdms-rc ac pharmadite r,dmt-2'o-tbdms-rc ac phosphoramidite, configured for ??kta r and oligopilot r,dmt-2'o-tbdms-rc ac phosphoramidite, configured for perkinelmer, configured for polygen,dmt-2'o-tbdms-rc ac phosphoramidite, configured for polygen, configured for perkinelmer

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CAS	8006-54-0
Synonym	dmt-2'o-tbdms-rc ac phosphoramidite,dmt-2'o-tbdms-rc ac phosphoramidite, configured for abi,dmt-2'o-tbdms-rc ac phosphoramidite, configured for mermade,ac-c-ce phosphoramidite,dmt-2'o-tbdms-rc ac amidite,dmt-2'o-tbdms-rc ac pharmadite r,dmt-2'o-tbdms-rc ac phosphoramidite, configured for ??kta r and oligopilot r,dmt-2'o-tbdms-rc ac phosphoramidite, configured for perkinelmer, configured for polygen,dmt-2'o-tbdms-rc ac phosphoramidite, configured for polygen, configured for perkinelmer

CAS

8006-54-0

Synonym

dmt-2'o-tbdms-rc ac phosphoramidite,dmt-2'o-tbdms-rc ac phosphoramidite, configured for abi,dmt-2'o-tbdms-rc ac phosphoramidite, configured for mermade,ac-c-ce phosphoramidite,dmt-2'o-tbdms-rc ac amidite,dmt-2'o-tbdms-rc ac pharmadite r,dmt-2'o-tbdms-rc ac phosphoramidite, configured for ??kta r and oligopilot r,dmt-2'o-tbdms-rc ac phosphoramidite, configured for perkinelmer, configured for polygen,dmt-2'o-tbdms-rc ac phosphoramidite, configured for polygen, configured for perkinelmer

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

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Specifications

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

Guaiacol, 99+%

CAS: 90-05-1 Molecular Formula: C₇H₈O₂ Molecular Weight (g/mol): 124.14 InChI Key: LHGVFZTZFXWLCP-UHFFFAOYSA-N Synonym: guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid PubChem CID: 460 ChEBI: CHEBI:28591 IUPAC Name: 2-methoxyphenol SMILES: COC1=CC=CC=C1O

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Specifications

PubChem CID	460
CAS	90-05-1
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:28591
SMILES	COC1=CC=CC=C1O
Synonym	guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid
IUPAC Name	2-methoxyphenol
InChI Key	LHGVFZTZFXWLCP-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₂

Benzyl alcohol, 99%

Pricing and Availability
Specifications

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

4,5-Dihydroxynaphthalene-2,7-disulfonic acid, disodium salt dihydrate, ACS reagent

CAS: 5808-22-0 Molecular Formula: C10H10Na2O10S2 Molecular Weight (g/mol): 400.28 MDL Number: MFCD00150612 InChI Key: QUEAKWJKJBFNEG-UHFFFAOYSA-L Synonym: chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g PubChem CID: 124202444 IUPAC Name: 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate SMILES: O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]

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Specifications

PubChem CID	124202444
CAS	5808-22-0
Molecular Weight (g/mol)	400.28
MDL Number	MFCD00150612
SMILES	O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
Synonym	chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g
IUPAC Name	2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate
InChI Key	QUEAKWJKJBFNEG-UHFFFAOYSA-L
Molecular Formula	C10H10Na2O10S2

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

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Specifications

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

Pricing and Availability
Specifications

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

Benzenoids

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