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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Cinnamic acids and derivatives (942)
Flavonoids (930)
Linear 1 3-diarylpropanoids (797)
Coumarins and derivatives (717)
Depsides and depsidones (521)
Phenylpropanoic acids (342)
Isoflavonoids (222)
Cinnamaldehydes (133)
Stilbenes (111)
Macrolide lactams (92)
Anthracyclines (90)
Macrolides and analogues (74)
Tetracyclines (64)
Cinnamyl alcohols (60)
Isocoumarins and derivatives (30)
Macrolactams (24)
Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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256 – 270 of 4,459 results
256

alpha-Cyano-4-hydroxycinnamic acid, Ultrapure MALDI Matrix, Thermo Scientific Chemicals

CAS: 28166-41-8 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00004204 InChI Key: AFVLVVWMAFSXCK-YVMONPNESA-N Synonym: alpha-cyano-4-hydroxycinnamate,2-cyano-4-hydroxycinnamate,2-cyano-3-4-hydroxyphe-nyl acrylic acid,2z-2-cyano-3-4-hydroxyphenyl prop-2-enoic acid PubChem CID: 9794103 IUPAC Name: (Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=C(C#N)C(=O)O)O

PubChem CID 9794103
CAS 28166-41-8
Molecular Weight (g/mol) 189.17
MDL Number MFCD00004204
SMILES C1=CC(=CC=C1C=C(C#N)C(=O)O)O
Synonym alpha-cyano-4-hydroxycinnamate,2-cyano-4-hydroxycinnamate,2-cyano-3-4-hydroxyphe-nyl acrylic acid,2z-2-cyano-3-4-hydroxyphenyl prop-2-enoic acid
IUPAC Name (Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid
InChI Key AFVLVVWMAFSXCK-YVMONPNESA-N
Molecular Formula C10H7NO3
257
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4-Acetoxycinnamic acid, predominantly trans, 98+%

CAS: 15486-19-8 Molecular Formula: C11H10O4 Molecular Weight (g/mol): 206.197 MDL Number: MFCD00016847 InChI Key: BYHBHNKBISXCEP-QPJJXVBHSA-N Synonym: 4-acetoxycinnamic acid,p-acetoxycinnamic acid,3-4-acetoxyphenyl acrylic acid,2-propenoic acid, 3-4-acetyloxy phenyl,trans-4-acetoxycinnamic acid,3-4-acetyloxy phenyl prop-2-enoic acid,4-acetoxycinnamic acid, predominantly trans,acetylated coumaric acid,2e-3-4-acetyloxy phenyl prop-2-enoic acid,3-4-acetoxyphenyl-2-propenoic acid PubChem CID: 5373941 ChEBI: CHEBI:86580 IUPAC Name: (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid SMILES: CC(=O)OC1=CC=C(C=C1)C=CC(=O)O

PubChem CID 5373941
CAS 15486-19-8
Molecular Weight (g/mol) 206.197
ChEBI CHEBI:86580
MDL Number MFCD00016847
SMILES CC(=O)OC1=CC=C(C=C1)C=CC(=O)O
Synonym 4-acetoxycinnamic acid,p-acetoxycinnamic acid,3-4-acetoxyphenyl acrylic acid,2-propenoic acid, 3-4-acetyloxy phenyl,trans-4-acetoxycinnamic acid,3-4-acetyloxy phenyl prop-2-enoic acid,4-acetoxycinnamic acid, predominantly trans,acetylated coumaric acid,2e-3-4-acetyloxy phenyl prop-2-enoic acid,3-4-acetoxyphenyl-2-propenoic acid
IUPAC Name (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid
InChI Key BYHBHNKBISXCEP-QPJJXVBHSA-N
Molecular Formula C11H10O4
258
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trans-4-Methoxycinnamic acid, 98%

CAS: 943-89-5 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00004398 InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N Synonym: 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid PubChem CID: 699414 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(\C=C\C(O)=O)C=C1

PubChem CID 699414
CAS 943-89-5
Molecular Weight (g/mol) 178.19
MDL Number MFCD00004398
SMILES COC1=CC=C(\C=C\C(O)=O)C=C1
Synonym 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid
IUPAC Name (E)-3-(4-methoxyphenyl)prop-2-enoic acid
InChI Key AFDXODALSZRGIH-QPJJXVBHSA-N
Molecular Formula C10H10O3
259
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4-Dimethylaminocinnamic acid, 97+%

CAS: 1552-96-1 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00004397 InChI Key: CQNPVMCASGWEHM-VMPITWQZSA-N Synonym: 4-dimethylamino cinnamic acid,4-dimethylaminocinnamic acid,p-dimethylamino cinnamic acid,3-4-dimethylamino phenyl acrylic acid,4-n,n-dimethylamino cinnamic acid,2e-3-4-dimethylamino phenyl prop-2-enoic acid,e-3-4-dimethylaminophenyl prop-2-enoic acid,e-3-4-dimethylamino phenyl acrylic acid PubChem CID: 1540638 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid SMILES: CN(C)C1=CC=C(C=C1)C=CC(=O)O

PubChem CID 1540638
CAS 1552-96-1
Molecular Weight (g/mol) 191.23
MDL Number MFCD00004397
SMILES CN(C)C1=CC=C(C=C1)C=CC(=O)O
Synonym 4-dimethylamino cinnamic acid,4-dimethylaminocinnamic acid,p-dimethylamino cinnamic acid,3-4-dimethylamino phenyl acrylic acid,4-n,n-dimethylamino cinnamic acid,2e-3-4-dimethylamino phenyl prop-2-enoic acid,e-3-4-dimethylaminophenyl prop-2-enoic acid,e-3-4-dimethylamino phenyl acrylic acid
IUPAC Name (E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid
InChI Key CQNPVMCASGWEHM-VMPITWQZSA-N
Molecular Formula C11H13NO2
260
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4-Hydroxybenzylideneacetone, 97%

CAS: 3160-35-8 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00016490 InChI Key: OCNIKEFATSKIBE-NSCUHMNNSA-N Synonym: p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl PubChem CID: 796857 SMILES: CC(=O)\C=C\C1=CC=C(O)C=C1

PubChem CID 796857
CAS 3160-35-8
Molecular Weight (g/mol) 162.19
MDL Number MFCD00016490
SMILES CC(=O)\C=C\C1=CC=C(O)C=C1
Synonym p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl
InChI Key OCNIKEFATSKIBE-NSCUHMNNSA-N
Molecular Formula C10H10O2
261

Curcumin, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.

262

3,4-Dimethoxycinnamic acid, 99%, predominantly trans isomer

CAS: 2316-26-9 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 MDL Number: MFCD00004387 InChI Key: HJBWJAPEBGSQPR-GQCTYLIASA-N Synonym: 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid PubChem CID: 717531 ChEBI: CHEBI:86549 IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)OC

PubChem CID 717531
CAS 2316-26-9
Molecular Weight (g/mol) 208.21
ChEBI CHEBI:86549
MDL Number MFCD00004387
SMILES COC1=C(C=C(C=C1)C=CC(=O)O)OC
Synonym 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid
IUPAC Name (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
InChI Key HJBWJAPEBGSQPR-GQCTYLIASA-N
Molecular Formula C11H12O4
263
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3-Methoxycinnamic acid, predominantly trans, 98+%

CAS: 1533748 MDL Number: MFCD00004386

CAS 1533748
MDL Number MFCD00004386
264

3-(2-Chloro-3,4-dimethoxyphenyl)acrylic acid, 97%, Thermo Scientific™

CAS: 99854-17-8 Molecular Formula: C11H10ClO4 Molecular Weight (g/mol): 241.65 MDL Number: MFCD00084947 InChI Key: JIPTVEJKXDVECY-GQCTYLIASA-M Synonym: 3-2-chloro-3,4-dimethoxyphenyl acrylic acid,2-chloro-3,4-dimethoxycinnamic acid,2e-3-2-chloro-3,4-dimethoxyphenyl prop-2-enoic acid,e-3-2-chloro-3,4-dimethoxyphenyl acrylic acid,e-3-2-chloro-3,4-dimethoxy-phenyl-acrylic acid,e-3-2-chloro-3,4-dimethoxyphenyl prop-2-enoic acid,2e-3-2-chloro-3,4-dimethoxyphenyl-2-propenoic acid PubChem CID: 5708524 IUPAC Name: (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(\C=C\C([O-])=O)C(Cl)=C1OC

PubChem CID 5708524
CAS 99854-17-8
Molecular Weight (g/mol) 241.65
MDL Number MFCD00084947
SMILES COC1=CC=C(\C=C\C([O-])=O)C(Cl)=C1OC
Synonym 3-2-chloro-3,4-dimethoxyphenyl acrylic acid,2-chloro-3,4-dimethoxycinnamic acid,2e-3-2-chloro-3,4-dimethoxyphenyl prop-2-enoic acid,e-3-2-chloro-3,4-dimethoxyphenyl acrylic acid,e-3-2-chloro-3,4-dimethoxy-phenyl-acrylic acid,e-3-2-chloro-3,4-dimethoxyphenyl prop-2-enoic acid,2e-3-2-chloro-3,4-dimethoxyphenyl-2-propenoic acid
IUPAC Name (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoic acid
InChI Key JIPTVEJKXDVECY-GQCTYLIASA-M
Molecular Formula C11H10ClO4
265
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1,4-Benzenediacrylic acid, 98%, Thermo Scientific Chemicals

CAS: 16323-43-6 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00002698 InChI Key: AAFXQFIGKBLKMC-KQQUZDAGSA-N Synonym: 1,4-benzenediacrylic acid,1,4-phenylenediacrylic acid,p-phenylenediacrylic acid,p-benzenediacrylic acid,unii-0f7e4o8q8y,3,3'-1,4-phenylene bis-2-propenoic acid,3,3'-p-phenylene diacrylic acid,2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid,2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid,3,3'-benzene-1,4-diylbisprop-2-enoic acid PubChem CID: 759280 IUPAC Name: (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O

PubChem CID 759280
CAS 16323-43-6
Molecular Weight (g/mol) 218.208
MDL Number MFCD00002698
SMILES C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O
Synonym 1,4-benzenediacrylic acid,1,4-phenylenediacrylic acid,p-phenylenediacrylic acid,p-benzenediacrylic acid,unii-0f7e4o8q8y,3,3'-1,4-phenylene bis-2-propenoic acid,3,3'-p-phenylene diacrylic acid,2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid,2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid,3,3'-benzene-1,4-diylbisprop-2-enoic acid
IUPAC Name (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
InChI Key AAFXQFIGKBLKMC-KQQUZDAGSA-N
Molecular Formula C12H10O4
266
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3,5-Difluorocinnamic acid, 98%, Thermo Scientific™

CAS: 84315-23-1 Molecular Formula: C9H6F2O2 Molecular Weight (g/mol): 184.14 MDL Number: MFCD00010321 InChI Key: MBAWRXICVNIUGY-OWOJBTEDSA-N Synonym: 3,5-difluorocinnamic acid,trans-3,5-difluorocinnamic acid,3,5-difluorocinnamicacid,e-3-3,5-difluorophenyl acrylic acid,3-3,5-difluorophenyl acrylic acid,2e-3-3,5-difluorophenyl prop-2-enoic acid,2e-3-3,5-difluorophenyl acrylic acid,rarechem bk hw 0255,timtec-bb sbb006675,3-3,5-difluorophenyl propenoic acid PubChem CID: 5374941 IUPAC Name: (E)-3-(3,5-difluorophenyl)prop-2-enoic acid SMILES: C1=C(C=C(C=C1F)F)C=CC(=O)O

PubChem CID 5374941
CAS 84315-23-1
Molecular Weight (g/mol) 184.14
MDL Number MFCD00010321
SMILES C1=C(C=C(C=C1F)F)C=CC(=O)O
Synonym 3,5-difluorocinnamic acid,trans-3,5-difluorocinnamic acid,3,5-difluorocinnamicacid,e-3-3,5-difluorophenyl acrylic acid,3-3,5-difluorophenyl acrylic acid,2e-3-3,5-difluorophenyl prop-2-enoic acid,2e-3-3,5-difluorophenyl acrylic acid,rarechem bk hw 0255,timtec-bb sbb006675,3-3,5-difluorophenyl propenoic acid
IUPAC Name (E)-3-(3,5-difluorophenyl)prop-2-enoic acid
InChI Key MBAWRXICVNIUGY-OWOJBTEDSA-N
Molecular Formula C9H6F2O2
267
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Dihydrocoumarin, 99%

CAS: 119-84-6 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00006881 InChI Key: VMUXSMXIQBNMGZ-UHFFFAOYSA-N Synonym: dihydrocoumarin,3,4-dihydrocoumarin,hydrocoumarin,chroman-2-one,benzodihydropyrone,melilotin,melilotol,2-chromanone,1,2-benzodihydropyrone,melilotic lactone PubChem CID: 660 ChEBI: CHEBI:16151 IUPAC Name: 3,4-dihydrochromen-2-one SMILES: C1CC(=O)OC2=CC=CC=C21

PubChem CID 660
CAS 119-84-6
Molecular Weight (g/mol) 148.161
ChEBI CHEBI:16151
MDL Number MFCD00006881
SMILES C1CC(=O)OC2=CC=CC=C21
Synonym dihydrocoumarin,3,4-dihydrocoumarin,hydrocoumarin,chroman-2-one,benzodihydropyrone,melilotin,melilotol,2-chromanone,1,2-benzodihydropyrone,melilotic lactone
IUPAC Name 3,4-dihydrochromen-2-one
InChI Key VMUXSMXIQBNMGZ-UHFFFAOYSA-N
Molecular Formula C9H8O2
268

Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate, 97%, Thermo Scientific™

CAS: 930110-97-7 Molecular Formula: C18H13F5O4 Molecular Weight (g/mol): 388.29 MDL Number: MFCD09702368 InChI Key: BDWCEFHYQPZQRO-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-tetrahydropyran-4-yloxy benzoate,pentafluorophenyl 4-oxan-4-yloxy benzoate,pentafluorophenyl 4-oxan-4-yl oxy benzoate,2,3,4,5,6-pentafluorophenyl 4-oxan-4-yloxy benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-oxan-4-yloxy benzoate,4-4-oxanyloxy benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229528 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-(oxan-4-yloxy)benzoate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=C(OC3CCOCC3)C=C2)C(F)=C1F

PubChem CID 24229528
CAS 930110-97-7
Molecular Weight (g/mol) 388.29
MDL Number MFCD09702368
SMILES FC1=C(F)C(F)=C(OC(=O)C2=CC=C(OC3CCOCC3)C=C2)C(F)=C1F
Synonym pentafluorophenyl 4-tetrahydropyran-4-yloxy benzoate,pentafluorophenyl 4-oxan-4-yloxy benzoate,pentafluorophenyl 4-oxan-4-yl oxy benzoate,2,3,4,5,6-pentafluorophenyl 4-oxan-4-yloxy benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-oxan-4-yloxy benzoate,4-4-oxanyloxy benzoic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 4-(oxan-4-yloxy)benzoate
InChI Key BDWCEFHYQPZQRO-UHFFFAOYSA-N
Molecular Formula C18H13F5O4
269

Camostat methanesulfate, 98%

CAS: 59721-29-8 Molecular Formula: C21H26N4O8S Molecular Weight (g/mol): 494.52 MDL Number: MFCD00941410 InChI Key: FSEKIHNIDBATFG-UHFFFAOYSA-N Synonym: camostat mesylate,camostat mesilate,camostat methanesulfonate,camostat monomethanesulfonate,foipan,unii-451m50a1eq,dsstox_cid_238,dsstox_rid_75452,dsstox_gsid_20238 PubChem CID: 5284360 IUPAC Name: 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-[(diaminomethylidene)amino]benzoate; methanesulfonic acid SMILES: CS(O)(=O)=O.CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(C=C2)N=C(N)N)C=C1

PubChem CID 5284360
CAS 59721-29-8
Molecular Weight (g/mol) 494.52
MDL Number MFCD00941410
SMILES CS(O)(=O)=O.CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(C=C2)N=C(N)N)C=C1
Synonym camostat mesylate,camostat mesilate,camostat methanesulfonate,camostat monomethanesulfonate,foipan,unii-451m50a1eq,dsstox_cid_238,dsstox_rid_75452,dsstox_gsid_20238
IUPAC Name 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-[(diaminomethylidene)amino]benzoate; methanesulfonic acid
InChI Key FSEKIHNIDBATFG-UHFFFAOYSA-N
Molecular Formula C21H26N4O8S
270
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1,3-Dibenzoyloxybenzene, 98%, Thermo Scientific Chemicals

CAS: 94-01-9 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.33 MDL Number: MFCD00016576 InChI Key: SUQGLJRNDJRARS-UHFFFAOYSA-N Synonym: 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate PubChem CID: 66742 IUPAC Name: (3-benzoyloxyphenyl) benzoate SMILES: O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1

PubChem CID 66742
CAS 94-01-9
Molecular Weight (g/mol) 318.33
MDL Number MFCD00016576
SMILES O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1
Synonym 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate
IUPAC Name (3-benzoyloxyphenyl) benzoate
InChI Key SUQGLJRNDJRARS-UHFFFAOYSA-N
Molecular Formula C20H14O4