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

Systemtic Name: 3-[(3E,5E)-2-(3-carboxyphenyl)sulfanyl-1-oxidanyl-pentadeca-3,5-dienyl]benzoic acid Openeye Name: 3-[(3E,5E)-2-(3-carboxyphenyl)sulfanyl-1-hydroxy-pentadeca-3,5-dienyl]benzoic acid CAS Name: 3-[(3E,5E)-2-[(3-carboxyphenyl)thio]-1-hydroxypentadeca-3,5-dienyl]benzoic acid IUPAC Name: 3-[(3E,5E)-2-(3-carboxyphenyl)sulfanyl-1-hydroxypentadeca-3,5-dienyl]benzoic acid Traditional Name: 3-[(3E,5E)-2-[(3-carboxyphenyl)thio]-1-hydroxy-pentadeca-3,5-dienyl]benzoic acid Formula: C29H36O5S MolecularWeight: 496.65814

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C29H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-19-26(35-25-18-14-17-24(21-25)29(33)34)27(30)22-15-13-16-23(20-22)28(31)32/h10-21,26-27,30H,2-9H2,1H3,(H,31,32)(H,33,34)/b11-10+,19-12+