3-[(3E,5E)-2-(3-methoxycarbonylphenyl)sulfanyl-1-oxidanyl-pentadeca-3,5-dienyl]benzoic acid

Systemtic Name: 3-[(3E,5E)-2-(3-methoxycarbonylphenyl)sulfanyl-1-oxidanyl-pentadeca-3,5-dienyl]benzoic acid Openeye Name: 3-[(3E,5E)-1-hydroxy-2-(3-methoxycarbonylphenyl)sulfanyl-pentadeca-3,5-dienyl]benzoic acid CAS Name: 3-[(3E,5E)-1-hydroxy-2-[(3-methoxycarbonylphenyl)thio]pentadeca-3,5-dienyl]benzoic acid IUPAC Name: 3-[(3E,5E)-1-hydroxy-2-(3-methoxycarbonylphenyl)sulfanylpentadeca-3,5-dienyl]benzoic acid Traditional Name: 3-[(3E,5E)-2-[(3-carbomethoxyphenyl)thio]-1-hydroxy-pentadeca-3,5-dienyl]benzoic acid Formula: C30H38O5S MolecularWeight: 510.68472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(C(C1=CC=CC(=C1)C(=O)O)O)SC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(C(C1=CC=CC(=C1)C(=O)O)O)SC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C30H38O5S/c1-3-4-5-6-7-8-9-10-11-12-13-20-27(28(31)23-16-14-17-24(21-23)29(32)33)36-26-19-15-18-25(22-26)30(34)35-2/h11-22,27-28,31H,3-10H2,1-2H3,(H,32,33)/b12-11+,20-13+