2-[(3E,5E)-1-(3-carboxyphenyl)-1-oxidanyl-pentadeca-3,5-dien-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(3E,5E)-1-(3-carboxyphenyl)-1-oxidanyl-pentadeca-3,5-dien-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(2E,4E)-1-[(3-carboxyphenyl)-hydroxy-methyl]tetradeca-2,4-dienyl]sulfanylbenzoic acid CAS Name: 2-[[(3E,5E)-1-(3-carboxyphenyl)-1-hydroxypentadeca-3,5-dien-2-yl]thio]benzoic acid IUPAC Name: 2-[(3E,5E)-1-(3-carboxyphenyl)-1-hydroxypentadeca-3,5-dien-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(2E,4E)-1-[(3-carboxyphenyl)-hydroxy-methyl]tetradeca-2,4-dienyl]thio]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=C2C(=O)O

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(C(C1=CC=CC(=C1)C(=O)O)O)SC2=CC=CC=C2C(=O)O

InChI

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