Thursday, June 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-[[3-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-3-oxidanyl-4-phenoxy-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C24H26O5
MOLECULAR WEIGHT: 394.46024
SMILES: C1CC2C(C(C1O2)CC3=CC=C(C=C3)C(=O)O)/C=C/C(COC4=CC=CC=C4)O
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Product OPENEYE NAME: 4-[2-[3-[(E)-benzyloxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-phenylmethoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-phenylmethoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-phenylmethoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C23H25NO4
MOLECULAR WEIGHT: 379.4489
SMILES: C1CC2C(C(C1O2)CCC3=CC=C(C=C3)C(=O)O)/C=N/OCC4=CC=CC=C4
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Product OPENEYE NAME: 2-[2-[3-[(E)-(pentanoylhydrazono)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 2-[2-[3-[(E)-(1-oxopentylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 2-[2-[3-[(E)-(pentanoylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 2-[2-[3-[(E)-(pentanoylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C21H28N2O4
MOLECULAR WEIGHT: 372.45802
SMILES: CCCCC(=O)N/N=C/C1C2CCC(C1CCC3=CC=CC=C3C(=O)O)O2
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Product OPENEYE NAME: 4-[2-[3-[(E)-3-hydroxy-4-methyl-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-3-hydroxy-4-methyl-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-3-hydroxy-4-methyl-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-4-methyl-3-oxidanyl-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C27H32O4
MOLECULAR WEIGHT: 420.54058
SMILES: CC(C)(C1=CC=CC=C1)C(/C=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3)O
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Product OPENEYE NAME: 4-[[3-[(E)-(propoxycarbonylhydrazono)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-[[oxo(propoxy)methyl]hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-(propoxycarbonylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-(propoxycarbonylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C19H24N2O5
MOLECULAR WEIGHT: 360.40426
SMILES: CCCOC(=O)N/N=C/C1C2CCC(C1CC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[2-[3-[(E)-2-bromo-3-hydroxy-oct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-2-bromo-3-hydroxyoct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-2-bromo-3-hydroxyoct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-2-bromanyl-3-oxidanyl-oct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C23H31BrO4
MOLECULAR WEIGHT: 451.39384
SMILES: CCCCCC(/C(=C\C1C2CCC(C1CCC3=CC=C(C=C3)C(=O)O)O2)/Br)O
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Product OPENEYE NAME: 4-[2-[3-[(E)-3-oxo-4-phenoxy-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-3-oxo-4-phenoxybut-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-3-oxo-4-phenoxybut-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-3-oxidanylidene-4-phenoxy-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C25H26O5
MOLECULAR WEIGHT: 406.47094
SMILES: C1CC2C(C(C1O2)CCC3=CC=C(C=C3)C(=O)O)/C=C/C(=O)COC4=CC=CC=C4
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Product OPENEYE NAME: 4-[2-[3-[(E)-[(2-oxo-2-phenoxy-ethyl)hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-[(2-oxo-2-phenoxyethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-[(2-oxo-2-phenoxyethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-[(2-oxidanylidene-2-phenoxy-ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C24H26N2O5
MOLECULAR WEIGHT: 422.47364
SMILES: C1CC2C(C(C1O2)CCC3=CC=C(C=C3)C(=O)O)/C=N/NCC(=O)OC4=CC=CC=C4
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Product OPENEYE NAME: 4-[[3-[(E)-cyclohexoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-cyclohexyloxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-cyclohexyloxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-cyclohexyloxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C21H27NO4
MOLECULAR WEIGHT: 357.44338
SMILES: C1CCC(CC1)O/N=C/C2C3CCC(C2CC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: 4-[2-[3-(pentylamino)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-(pentylamino)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-(pentylamino)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-(pentylamino)-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C20H29NO3
MOLECULAR WEIGHT: 331.44916
SMILES: CCCCCNC1C2CCC(C1CCC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[[3-(acetoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C17H20O5
MOLECULAR WEIGHT: 304.3377
SMILES: CC(=O)OCC1C2CCC(C1CC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: N-ethylbenzohydrazide
CAS Name: N-ethylbenzohydrazide
IUPAC NAME: N-ethylbenzohydrazide
SYSTEMATIC NAME: N-ethylbenzohydrazide
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CCN(C(=O)C1=CC=CC=C1)N
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Product OPENEYE NAME: 4-[2-[3-[(E)-cyclohexoxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-cyclohexyloxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-cyclohexyloxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-cyclohexyloxyiminomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C22H29NO4
MOLECULAR WEIGHT: 371.46996
SMILES: C1CCC(CC1)O/N=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: N-methylhexanehydrazide
CAS Name: N-methylhexanehydrazide
IUPAC NAME: N-methylhexanehydrazide
SYSTEMATIC NAME: N-methylhexanehydrazide
MOLECULAR FORMULA: C7H16N2O
MOLECULAR WEIGHT: 144.21474
SMILES: CCCCCC(=O)N(C)N
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Product OPENEYE NAME: 4-[2-[3-[(pentoxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(pentoxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(pentoxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(pentoxyamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C21H31NO4
MOLECULAR WEIGHT: 361.47514
SMILES: CCCCCONCC1C2CCC(C1CCC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: N-pentylhydroxylamine hydrochloride
CAS Name: N-pentylhydroxylamine hydrochloride
IUPAC NAME: N-pentylhydroxylamine hydrochloride
SYSTEMATIC NAME: N-pentylhydroxylamine hydrochloride
MOLECULAR FORMULA: C5H14ClNO
MOLECULAR WEIGHT: 139.62376
SMILES: CCCCCNO.Cl
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Product OPENEYE NAME: 4-[2-[3-[(2-benzyloxycarbonylhydrazino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(phenylmethoxycarbonylhydrazo)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(2-phenylmethoxycarbonylhydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(2-phenylmethoxycarbonylhydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C24H28N2O5
MOLECULAR WEIGHT: 424.48952
SMILES: C1CC2C(C(C1O2)CCC3=CC=C(C=C3)C(=O)O)CNNC(=O)OCC4=CC=CC=C4
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Product OPENEYE NAME: 4-[2-[2-[3-(acetoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]acetyl]oxyethyl]benzoic acid
CAS Name: 4-[2-[2-[3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-oxoethoxy]ethyl]benzoic acid
IUPAC NAME: 4-[2-[2-[3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]acetyl]oxyethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[2-[3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethanoyloxy]ethyl]benzoic acid
MOLECULAR FORMULA: C20H24O7
MOLECULAR WEIGHT: 376.40036
SMILES: CC(=O)OCC1C2CCC(C1CC(=O)OCCC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[2-[3-[(E)-4,4-dimethyl-3-oxo-oct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-4,4-dimethyl-3-oxooct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-4,4-dimethyl-3-oxooct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-4,4-dimethyl-3-oxidanylidene-oct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C25H34O4
MOLECULAR WEIGHT: 398.53506
SMILES: CCCCC(C)(C)C(=O)/C=C/C1C2CCC(C1CCC3=CC=C(C=C3)C(=O)O)O2
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Product OPENEYE NAME: 4-[[3-[(E)-[(2-oxo-2-phenoxy-ethyl)hydrazono]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-[(2-oxo-2-phenoxyethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-[(2-oxo-2-phenoxyethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-[(2-oxidanylidene-2-phenoxy-ethyl)hydrazinylidene]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C23H24N2O5
MOLECULAR WEIGHT: 408.44706
SMILES: C1CC2C(C(C1O2)CC3=CC=C(C=C3)C(=O)O)/C=N/NCC(=O)OC4=CC=CC=C4
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Product OPENEYE NAME: 4-[2-[3-[(2-phenoxycarbonylhydrazino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[[[oxo(phenoxy)methyl]hydrazo]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(2-phenoxycarbonylhydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(2-phenoxycarbonylhydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C23H26N2O5
MOLECULAR WEIGHT: 410.46294
SMILES: C1CC2C(C(C1O2)CCC3=CC=C(C=C3)C(=O)O)CNNC(=O)OC4=CC=CC=C4
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Product OPENEYE NAME: 4-[[3-[(E)-3-hydroxy-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-3-hydroxy-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-3-hydroxy-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-3-oxidanyl-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C25H28O4
MOLECULAR WEIGHT: 392.48742
SMILES: CC(C1=CC=CC=C1)C(/C=C/C2C3CCC(C2CC4=CC=C(C=C4)C(=O)O)O3)O
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Product OPENEYE NAME: 4-[2-[3-[(E)-3-cyclopentyl-3-oxo-prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
CAS Name: 4-[2-[3-[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
IUPAC NAME: 4-[2-[3-[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[3-[(E)-3-cyclopentyl-3-oxidanylidene-prop-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C23H28O4
MOLECULAR WEIGHT: 368.46602
SMILES: C1CCC(C1)C(=O)/C=C/C2C3CCC(C2CCC4=CC=C(C=C4)C(=O)O)O3
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Product OPENEYE NAME: 4-[[3-[(E)-3-hydroxy-4-(o-tolyl)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
CAS Name: 4-[[3-[(E)-3-hydroxy-4-(2-methylphenyl)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-[(E)-3-hydroxy-4-(2-methylphenyl)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-[(E)-4-(2-methylphenyl)-3-oxidanyl-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
MOLECULAR FORMULA: C25H28O4
MOLECULAR WEIGHT: 392.48742
SMILES: CC1=CC=CC=C1CC(/C=C/C2C3CCC(C2CC4=CC=C(C=C4)C(=O)O)O3)O
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