Phenylpropanoids and polyketides
Filtered Search Results
Ethyl Coumarin-3-carboxylate 98.0+%, TCI America™
CAS: 1846-76-0 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00016964 InChI Key: XKHPEMKBJGUYCM-UHFFFAOYSA-N Synonym: ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester PubChem CID: 15800 IUPAC Name: ethyl 2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2OC1=O
| PubChem CID | 15800 |
|---|---|
| CAS | 1846-76-0 |
| Molecular Weight (g/mol) | 218.208 |
| MDL Number | MFCD00016964 |
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2OC1=O |
| Synonym | ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester |
| IUPAC Name | ethyl 2-oxochromene-3-carboxylate |
| InChI Key | XKHPEMKBJGUYCM-UHFFFAOYSA-N |
| Molecular Formula | C12H10O4 |
7-Ethynylcoumarin 98.0+%, TCI America™
CAS: 270088-04-5 Molecular Formula: C11H6O2 Molecular Weight (g/mol): 170.17 MDL Number: MFCD28668960 InChI Key: NGKXZMHLZMPKFE-UHFFFAOYSA-N PubChem CID: 54110018 IUPAC Name: 7-ethynyl-2H-chromen-2-one SMILES: O=C1OC2=CC(=CC=C2C=C1)C#C
| PubChem CID | 54110018 |
|---|---|
| CAS | 270088-04-5 |
| Molecular Weight (g/mol) | 170.17 |
| MDL Number | MFCD28668960 |
| SMILES | O=C1OC2=CC(=CC=C2C=C1)C#C |
| IUPAC Name | 7-ethynyl-2H-chromen-2-one |
| InChI Key | NGKXZMHLZMPKFE-UHFFFAOYSA-N |
| Molecular Formula | C11H6O2 |
4-Methyl-6,7-methylenedioxycoumarin, TCI America™
CAS: 15071-04-2 Molecular Formula: C11H8O4 Molecular Weight (g/mol): 204.181 MDL Number: MFCD00143343 InChI Key: XAOGHIKJQRXPHX-UHFFFAOYSA-N Synonym: 4-Methylayapin PubChem CID: 609315 IUPAC Name: 8-methyl-[1,3]dioxolo[4,5-g]chromen-6-one SMILES: CC1=CC(=O)OC2=CC3=C(C=C12)OCO3
| PubChem CID | 609315 |
|---|---|
| CAS | 15071-04-2 |
| Molecular Weight (g/mol) | 204.181 |
| MDL Number | MFCD00143343 |
| SMILES | CC1=CC(=O)OC2=CC3=C(C=C12)OCO3 |
| Synonym | 4-Methylayapin |
| IUPAC Name | 8-methyl-[1,3]dioxolo[4,5-g]chromen-6-one |
| InChI Key | XAOGHIKJQRXPHX-UHFFFAOYSA-N |
| Molecular Formula | C11H8O4 |
7-(Diethylamino)-4-(trifluoromethyl)coumarin 98.0+%, TCI America™
CAS: 41934-47-8 Molecular Formula: C14H14F3NO2 Molecular Weight (g/mol): 285.266 MDL Number: MFCD00057313 InChI Key: UIMOXRDVWDLOHW-UHFFFAOYSA-N Synonym: Coumarin 481 PubChem CID: 94523 ChEBI: CHEBI:51777 IUPAC Name: 7-(diethylamino)-4-(trifluoromethyl)chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
| PubChem CID | 94523 |
|---|---|
| CAS | 41934-47-8 |
| Molecular Weight (g/mol) | 285.266 |
| ChEBI | CHEBI:51777 |
| MDL Number | MFCD00057313 |
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F |
| Synonym | Coumarin 481 |
| IUPAC Name | 7-(diethylamino)-4-(trifluoromethyl)chromen-2-one |
| InChI Key | UIMOXRDVWDLOHW-UHFFFAOYSA-N |
| Molecular Formula | C14H14F3NO2 |
N-Succinimidyl 7-Hydroxy-4-methylcoumarin-3-acetate 90.0+%, TCI America™
CAS: 96735-88-5 Molecular Formula: C16H13NO7 Molecular Weight (g/mol): 331.28 MDL Number: MFCD00467590 InChI Key: VODLZKHEKKGCBG-UHFFFAOYSA-N Synonym: 7-Hydroxy-4-methylcoumarin-3-acetic Acid N-Succinimidyl Ester, N-Succinimidyl 4-Methylumbelliferone-3-acetate, 4-Methylumbelliferone-3-acetic Acid N-Succinimidyl Ester PubChem CID: 5413011 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)ON3C(=O)CCC3=O
| PubChem CID | 5413011 |
|---|---|
| CAS | 96735-88-5 |
| Molecular Weight (g/mol) | 331.28 |
| MDL Number | MFCD00467590 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)ON3C(=O)CCC3=O |
| Synonym | 7-Hydroxy-4-methylcoumarin-3-acetic Acid N-Succinimidyl Ester, N-Succinimidyl 4-Methylumbelliferone-3-acetate, 4-Methylumbelliferone-3-acetic Acid N-Succinimidyl Ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate |
| InChI Key | VODLZKHEKKGCBG-UHFFFAOYSA-N |
| Molecular Formula | C16H13NO7 |
4-Methylesculetin 98.0+%, TCI America™
CAS: 529-84-0 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006859 InChI Key: KVOJTUXGYQVLAJ-UHFFFAOYSA-N Synonym: 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one PubChem CID: 5319502 IUPAC Name: 6,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)O
| PubChem CID | 5319502 |
|---|---|
| CAS | 529-84-0 |
| Molecular Weight (g/mol) | 192.17 |
| MDL Number | MFCD00006859 |
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)O)O |
| Synonym | 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one |
| IUPAC Name | 6,7-dihydroxy-4-methylchromen-2-one |
| InChI Key | KVOJTUXGYQVLAJ-UHFFFAOYSA-N |
| Molecular Formula | C10H8O4 |
Biochanin A 98.0+%, TCI America™
CAS: 491-80-5 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.27 MDL Number: MFCD00006839 InChI Key: WUADCCWRTIWANL-UHFFFAOYSA-N Synonym: biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl PubChem CID: 5280373 ChEBI: CHEBI:17574 IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
| PubChem CID | 5280373 |
|---|---|
| CAS | 491-80-5 |
| Molecular Weight (g/mol) | 284.27 |
| ChEBI | CHEBI:17574 |
| MDL Number | MFCD00006839 |
| SMILES | COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O |
| Synonym | biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl |
| IUPAC Name | 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one |
| InChI Key | WUADCCWRTIWANL-UHFFFAOYSA-N |
| Molecular Formula | C16H12O5 |
Daidzin 98.0+%, TCI America™
CAS: 552-66-9 Molecular Formula: C21H20O9 Molecular Weight (g/mol): 416.38 MDL Number: MFCD00017466 InChI Key: KYQZWONCHDNPDP-QNDFHXLGSA-N Synonym: daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside PubChem CID: 107971 ChEBI: CHEBI:42202 IUPAC Name: 3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one SMILES: OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
| PubChem CID | 107971 |
|---|---|
| CAS | 552-66-9 |
| Molecular Weight (g/mol) | 416.38 |
| ChEBI | CHEBI:42202 |
| MDL Number | MFCD00017466 |
| SMILES | OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| Synonym | daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside |
| IUPAC Name | 3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one |
| InChI Key | KYQZWONCHDNPDP-QNDFHXLGSA-N |
| Molecular Formula | C21H20O9 |
Benzoin Isobutyl Ether 94.0+%, TCI America™
CAS: 22499-12-3 Molecular Formula: C18H20O2 Molecular Weight (g/mol): 268.356 MDL Number: MFCD00008933 InChI Key: JMVZGKVGQDHWOI-UHFFFAOYSA-N Synonym: 2-Isobutoxy-2-phenylacetophenone PubChem CID: 90794 IUPAC Name: 2-(2-methylpropoxy)-1,2-diphenylethanone SMILES: CC(C)COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 90794 |
|---|---|
| CAS | 22499-12-3 |
| Molecular Weight (g/mol) | 268.356 |
| MDL Number | MFCD00008933 |
| SMILES | CC(C)COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 2-Isobutoxy-2-phenylacetophenone |
| IUPAC Name | 2-(2-methylpropoxy)-1,2-diphenylethanone |
| InChI Key | JMVZGKVGQDHWOI-UHFFFAOYSA-N |
| Molecular Formula | C18H20O2 |
Piceid 95.0+%, TCI America™
CAS: 27208-80-6 Molecular Formula: C20H22O8 Molecular Weight (g/mol): 390.388 MDL Number: MFCD00210592 InChI Key: HSTZMXCBWJGKHG-CUYWLFDKSA-N PubChem CID: 5281718 ChEBI: CHEBI:8198 IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
| PubChem CID | 5281718 |
|---|---|
| CAS | 27208-80-6 |
| Molecular Weight (g/mol) | 390.388 |
| ChEBI | CHEBI:8198 |
| MDL Number | MFCD00210592 |
| SMILES | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI Key | HSTZMXCBWJGKHG-CUYWLFDKSA-N |
| Molecular Formula | C20H22O8 |
4-Nitrocinnamyl Alcohol 98.0+%, TCI America™
CAS: 1504-63-8 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00017045 InChI Key: LGXXEDSIJZHDBN-OWOJBTEDSA-N Synonym: 4-nitrocinnamyl alcohol,2e-3-4-nitrophenyl prop-2-en-1-ol,e-3-4-nitrophenyl prop-2-en-1-ol,p-nitrocinnamyl alcohol,3-4-nitrophenyl prop-2-en-1-ol,2-propen-1-ol, 3-4-nitrophenyl,2-propen-1-ol, 3-p-nitrophenyl,3-p-nitrophenyl allyl alcohol,3-4-nitrophenyl-2-propenol PubChem CID: 5462894 IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-en-1-ol SMILES: C1=CC(=CC=C1C=CCO)[N+](=O)[O-]
| PubChem CID | 5462894 |
|---|---|
| CAS | 1504-63-8 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD00017045 |
| SMILES | C1=CC(=CC=C1C=CCO)[N+](=O)[O-] |
| Synonym | 4-nitrocinnamyl alcohol,2e-3-4-nitrophenyl prop-2-en-1-ol,e-3-4-nitrophenyl prop-2-en-1-ol,p-nitrocinnamyl alcohol,3-4-nitrophenyl prop-2-en-1-ol,2-propen-1-ol, 3-4-nitrophenyl,2-propen-1-ol, 3-p-nitrophenyl,3-p-nitrophenyl allyl alcohol,3-4-nitrophenyl-2-propenol |
| IUPAC Name | (E)-3-(4-nitrophenyl)prop-2-en-1-ol |
| InChI Key | LGXXEDSIJZHDBN-OWOJBTEDSA-N |
| Molecular Formula | C9H9NO3 |
2-Methyl-3-phenyl-2-propen-1-ol 95.0+%, TCI America™
CAS: 1504-55-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00004738 InChI Key: LLNAMUJRIZIXHF-VQHVLOKHSA-N Synonym: 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol PubChem CID: 6393846 IUPAC Name: (E)-2-methyl-3-phenylprop-2-en-1-ol SMILES: CC(=CC1=CC=CC=C1)CO
| PubChem CID | 6393846 |
|---|---|
| CAS | 1504-55-8 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00004738 |
| SMILES | CC(=CC1=CC=CC=C1)CO |
| Synonym | 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol |
| IUPAC Name | (E)-2-methyl-3-phenylprop-2-en-1-ol |
| InChI Key | LLNAMUJRIZIXHF-VQHVLOKHSA-N |
| Molecular Formula | C10H12O |
3-Hydroxy-4'-methoxyflavone 98.0+%, TCI America™
CAS: 6889-78-7 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.268 MDL Number: MFCD00017682 InChI Key: IIBBFGMVMNZMGA-UHFFFAOYSA-N Synonym: 4'-methoxyflavonol,3-hydroxy-4'-methoxyflavone,3-hydroxy-2-4-methoxyphenyl-4h-chromen-4-one,3-hydroxy-2-4-methoxyphenyl chromen-4-one,4h-1-benzopyran-4-one, 3-hydroxy-2-4-methoxyphenyl,2-4-methoxyphenyl-3-hydroxyflavone,hydroxymethoxyphenylchromenone,3-hydroxy-4'-methoxyflavanone,4h-1-benzopyran-4-one, 3-hydroxy-2-4-methoxyphenyl-9ci PubChem CID: 97141 IUPAC Name: 3-hydroxy-2-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
| PubChem CID | 97141 |
|---|---|
| CAS | 6889-78-7 |
| Molecular Weight (g/mol) | 268.268 |
| MDL Number | MFCD00017682 |
| SMILES | COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O |
| Synonym | 4'-methoxyflavonol,3-hydroxy-4'-methoxyflavone,3-hydroxy-2-4-methoxyphenyl-4h-chromen-4-one,3-hydroxy-2-4-methoxyphenyl chromen-4-one,4h-1-benzopyran-4-one, 3-hydroxy-2-4-methoxyphenyl,2-4-methoxyphenyl-3-hydroxyflavone,hydroxymethoxyphenylchromenone,3-hydroxy-4'-methoxyflavanone,4h-1-benzopyran-4-one, 3-hydroxy-2-4-methoxyphenyl-9ci |
| IUPAC Name | 3-hydroxy-2-(4-methoxyphenyl)chromen-4-one |
| InChI Key | IIBBFGMVMNZMGA-UHFFFAOYSA-N |
| Molecular Formula | C16H12O4 |
(-)-Epigallocatechin 98.0+%, TCI America™
CAS: 970-74-1 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 MDL Number: MFCD00075939 InChI Key: XMOCLSLCDHWDHP-IUODEOHRSA-N Synonym: --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol PubChem CID: 72277 ChEBI: CHEBI:42255 IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
| PubChem CID | 72277 |
|---|---|
| CAS | 970-74-1 |
| Molecular Weight (g/mol) | 306.27 |
| ChEBI | CHEBI:42255 |
| MDL Number | MFCD00075939 |
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
| Synonym | --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol |
| IUPAC Name | (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| InChI Key | XMOCLSLCDHWDHP-IUODEOHRSA-N |
| Molecular Formula | C15H14O7 |
Seratrodast 98.0+%, TCI America™
CAS: 112665-43-7 Molecular Formula: C22H26O4 Molecular Weight (g/mol): 354.446 MDL Number: MFCD00875701 InChI Key: ZBVKEHDGYSLCCC-UHFFFAOYSA-N Synonym: seratrodast,bronica,abbott 73001,abbott-73001,seratrodast usan:inn,7-phenyl-7-2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl heptanoic acid,bronica tn,ccris 8939,+--7-3,5,6-trimethyl-1,4-benzoquinon-2-yl-7-phenylheptanoic acid,seratrodast jan/usan/inn PubChem CID: 2449 IUPAC Name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid SMILES: CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C
| PubChem CID | 2449 |
|---|---|
| CAS | 112665-43-7 |
| Molecular Weight (g/mol) | 354.446 |
| MDL Number | MFCD00875701 |
| SMILES | CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C |
| Synonym | seratrodast,bronica,abbott 73001,abbott-73001,seratrodast usan:inn,7-phenyl-7-2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl heptanoic acid,bronica tn,ccris 8939,+--7-3,5,6-trimethyl-1,4-benzoquinon-2-yl-7-phenylheptanoic acid,seratrodast jan/usan/inn |
| IUPAC Name | 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid |
| InChI Key | ZBVKEHDGYSLCCC-UHFFFAOYSA-N |
| Molecular Formula | C22H26O4 |