Phenylpropanoids and polyketides
Filtered Search Results
Rutin, 97+%
CAS: 207671-50-9 Molecular Formula: C27H30O16 Molecular Weight (g/mol): 610.52 MDL Number: MFCD01319140 InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N Synonym: rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid PubChem CID: 5280805 ChEBI: CHEBI:28527 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
| PubChem CID | 5280805 |
|---|---|
| CAS | 207671-50-9 |
| Molecular Weight (g/mol) | 610.52 |
| ChEBI | CHEBI:28527 |
| MDL Number | MFCD01319140 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Synonym | rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| InChI Key | IKGXIBQEEMLURG-NVPNHPEKSA-N |
| Molecular Formula | C27H30O16 |
Thermo Scientific Chemicals 4-Dimethylaminocinnamaldehyde, 98%
CAS: 6203-18-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.23 MDL Number: MFCD00007002 InChI Key: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonym: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent PubChem CID: 5284506 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O
| PubChem CID | 5284506 |
|---|---|
| CAS | 6203-18-5 |
| Molecular Weight (g/mol) | 175.23 |
| MDL Number | MFCD00007002 |
| SMILES | CN(C)C1=CC=C(C=C1)C=CC=O |
| Synonym | 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent |
| IUPAC Name | (E)-3-[4-(dimethylamino)phenyl]prop-2-enal |
| InChI Key | RUKJCCIJLIMGEP-ONEGZZNKSA-N |
| Molecular Formula | C11H13NO |
Phenyl salicylate, 99%
CAS: 118-55-8 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
| PubChem CID | 8361 |
|---|---|
| CAS | 118-55-8 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:34918 |
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O |
| Synonym | phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate |
| IUPAC Name | phenyl 2-hydroxybenzoate |
| InChI Key | ZQBAKBUEJOMQEX-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
Paraffin, pure, wax, granular
CAS: 8002-74-2 Molecular Formula: CnH2n+2 Molecular Weight (g/mol): 341.451 MDL Number: MFCD00132833 InChI Key: JWHAUXFOSRPERK-UHFFFAOYSA-N Synonym: propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn PubChem CID: 4932 ChEBI: CHEBI:63619 IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
| PubChem CID | 4932 |
|---|---|
| CAS | 8002-74-2 |
| Molecular Weight (g/mol) | 341.451 |
| ChEBI | CHEBI:63619 |
| MDL Number | MFCD00132833 |
| SMILES | CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O |
| Synonym | propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn |
| IUPAC Name | 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one |
| InChI Key | JWHAUXFOSRPERK-UHFFFAOYSA-N |
| Molecular Formula | CnH2n+2 |
Genistein, 99%, synthetic
CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
| PubChem CID | 5280961 |
|---|---|
| CAS | 446-72-0 |
| Molecular Weight (g/mol) | 270.24 |
| ChEBI | CHEBI:28088 |
| MDL Number | MFCD00016952 |
| SMILES | OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O |
| Synonym | genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| InChI Key | TZBJGXHYKVUXJN-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
Thermo Scientific Chemicals Curcumin (mixture of curcumin, demethoxycurcumin, and bisdemethoxycurcumin), 96%
CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
| PubChem CID | 969516 |
|---|---|
| CAS | 458-37-7 |
| Molecular Weight (g/mol) | 368.39 |
| ChEBI | CHEBI:3962 |
| MDL Number | MFCD00008365 |
| SMILES | COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O |
| Synonym | curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i |
| InChI Key | ZIUSSTSXXLLKKK-KOBPDPAPSA-N |
| Molecular Formula | C21H20O6 |
Esculin hydrate, 97%
CAS: 531-75-9 Molecular Formula: C15H16O9 Molecular Weight (g/mol): 340.28 MDL Number: MFCD00149492 InChI Key: XHCADAYNFIFUHF-TYKRLAFXNA-N Synonym: esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside PubChem CID: 5281417 ChEBI: CHEBI:4853 IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one SMILES: OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
| PubChem CID | 5281417 |
|---|---|
| CAS | 531-75-9 |
| Molecular Weight (g/mol) | 340.28 |
| ChEBI | CHEBI:4853 |
| MDL Number | MFCD00149492 |
| SMILES | OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| Synonym | esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside |
| IUPAC Name | 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
| InChI Key | XHCADAYNFIFUHF-TYKRLAFXNA-N |
| Molecular Formula | C15H16O9 |
Ibuprofen, 99%, Thermo Scientific Chemicals
CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
| PubChem CID | 3672 |
|---|---|
| CAS | 15687-27-1 |
| Molecular Weight (g/mol) | 206.29 |
| ChEBI | CHEBI:5855 |
| MDL Number | MFCD00010393 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(O)=O |
| IUPAC Name | 2-[4-(2-methylpropyl)phenyl]propanoic acid |
| InChI Key | HEFNNWSXXWATRW-UHFFFAOYNA-N |
| Molecular Formula | C13H18O2 |
3,5-Dimethoxy-4-hydroxycinnamic acid, 98%, predominantly trans isomer
CAS: 530-59-6 Molecular Formula: C11H12O5 Molecular Weight (g/mol): 224.21 InChI Key: PCMORTLOPMLEFB-ONEGZZNKSA-N Synonym: sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec PubChem CID: 637775 ChEBI: CHEBI:15714 IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)O
| PubChem CID | 637775 |
|---|---|
| CAS | 530-59-6 |
| Molecular Weight (g/mol) | 224.21 |
| ChEBI | CHEBI:15714 |
| SMILES | COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
| Synonym | sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec |
| IUPAC Name | (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid |
| InChI Key | PCMORTLOPMLEFB-ONEGZZNKSA-N |
| Molecular Formula | C11H12O5 |
Dicumarol, 99%
CAS: 66-76-2 Molecular Formula: C19H12O6 Molecular Weight (g/mol): 336.30 MDL Number: MFCD00006857 InChI Key: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonym: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl PubChem CID: 54676038 ChEBI: CHEBI:4513 IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one SMILES: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12
| PubChem CID | 54676038 |
|---|---|
| CAS | 66-76-2 |
| Molecular Weight (g/mol) | 336.30 |
| ChEBI | CHEBI:4513 |
| MDL Number | MFCD00006857 |
| SMILES | OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12 |
| Synonym | dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl |
| IUPAC Name | 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one |
| InChI Key | DOBMPNYZJYQDGZ-UHFFFAOYSA-N |
| Molecular Formula | C19H12O6 |
Cinnamyl alcohol, 98% trans
CAS: 104-54-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00002921 InChI Key: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonym: cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol PubChem CID: 5315892 ChEBI: CHEBI:33227 IUPAC Name: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO
| PubChem CID | 5315892 |
|---|---|
| CAS | 104-54-1 |
| Molecular Weight (g/mol) | 134.18 |
| ChEBI | CHEBI:33227 |
| MDL Number | MFCD00002921 |
| SMILES | C1=CC=C(C=C1)C=CCO |
| Synonym | cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol |
| IUPAC Name | (E)-3-phenylprop-2-en-1-ol |
| InChI Key | OOCCDEMITAIZTP-QPJJXVBHSA-N |
| Molecular Formula | C9H10O |
Quercetin hydrate, 95%
CAS: 849061-97-8 Molecular Formula: C15H10O7 Molecular Weight (g/mol): 302.24 MDL Number: MFCD03847906 InChI Key: REFJWTPEDVJJIY-UHFFFAOYSA-N Synonym: quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate PubChem CID: 16212154 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate SMILES: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
| PubChem CID | 16212154 |
|---|---|
| CAS | 849061-97-8 |
| Molecular Weight (g/mol) | 302.24 |
| MDL Number | MFCD03847906 |
| SMILES | OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1 |
| Synonym | quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate |
| InChI Key | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| Molecular Formula | C15H10O7 |
4-(Bromomethyl)-7-methoxycoumarin, 97%
CAS: 35231-44-8 Molecular Formula: C11H9BrO3 Molecular Weight (g/mol): 269.09 MDL Number: MFCD00006869 InChI Key: CTENSLORRMFPDH-UHFFFAOYSA-N Synonym: 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin PubChem CID: 121894 IUPAC Name: 4-(bromomethyl)-7-methoxychromen-2-one SMILES: COC1=CC=C2C(CBr)=CC(=O)OC2=C1
| PubChem CID | 121894 |
|---|---|
| CAS | 35231-44-8 |
| Molecular Weight (g/mol) | 269.09 |
| MDL Number | MFCD00006869 |
| SMILES | COC1=CC=C2C(CBr)=CC(=O)OC2=C1 |
| Synonym | 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin |
| IUPAC Name | 4-(bromomethyl)-7-methoxychromen-2-one |
| InChI Key | CTENSLORRMFPDH-UHFFFAOYSA-N |
| Molecular Formula | C11H9BrO3 |
Thermo Scientific Chemicals 7-Diethylamino-4-methylcoumarin, 99%
CAS: 91-44-1 Molecular Formula: C14H17NO2 Molecular Weight (g/mol): 231.29 MDL Number: MFCD00006864 InChI Key: AFYCEAFSNDLKSX-UHFFFAOYSA-N Synonym: 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p PubChem CID: 7050 ChEBI: CHEBI:51938 IUPAC Name: 7-(diethylamino)-4-methylchromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
| PubChem CID | 7050 |
|---|---|
| CAS | 91-44-1 |
| Molecular Weight (g/mol) | 231.29 |
| ChEBI | CHEBI:51938 |
| MDL Number | MFCD00006864 |
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C |
| Synonym | 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p |
| IUPAC Name | 7-(diethylamino)-4-methylchromen-2-one |
| InChI Key | AFYCEAFSNDLKSX-UHFFFAOYSA-N |
| Molecular Formula | C14H17NO2 |
3,4,9,10-Perylenetetracarboxylic dianhydride, 98%
CAS: 128-69-8 Molecular Formula: C24H8O6 Molecular Weight (g/mol): 392.32 MDL Number: MFCD00006916 InChI Key: CLYVDMAATCIVBF-UHFFFAOYSA-N Synonym: 3,4,9,10-perylenetetracarboxylic dianhydride,pigment red 224,ptcda,perylene-3,4,9,10-tetracarboxylic dianhydride,perylenetetracarboxylic anhydride,anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone,perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone,perylenetetracarboxylic acid dianhydride,3,4:9,10-perylenetetracarboxylic anhydride PubChem CID: 67191 IUPAC Name: 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone SMILES: O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56
| PubChem CID | 67191 |
|---|---|
| CAS | 128-69-8 |
| Molecular Weight (g/mol) | 392.32 |
| MDL Number | MFCD00006916 |
| SMILES | O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56 |
| Synonym | 3,4,9,10-perylenetetracarboxylic dianhydride,pigment red 224,ptcda,perylene-3,4,9,10-tetracarboxylic dianhydride,perylenetetracarboxylic anhydride,anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone,perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone,perylenetetracarboxylic acid dianhydride,3,4:9,10-perylenetetracarboxylic anhydride |
| IUPAC Name | 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone |
| InChI Key | CLYVDMAATCIVBF-UHFFFAOYSA-N |
| Molecular Formula | C24H8O6 |