3-[(3E,5E)-2-(4-carboxyphenyl)sulfanyl-1-oxidanyl-pentadeca-3,5-dienyl]benzoic acid

Systemtic Name: 3-[(3E,5E)-2-(4-carboxyphenyl)sulfanyl-1-oxidanyl-pentadeca-3,5-dienyl]benzoic acid Openeye Name: 3-[(3E,5E)-2-(4-carboxyphenyl)sulfanyl-1-hydroxy-pentadeca-3,5-dienyl]benzoic acid CAS Name: 3-[(3E,5E)-2-[(4-carboxyphenyl)thio]-1-hydroxypentadeca-3,5-dienyl]benzoic acid IUPAC Name: 3-[(3E,5E)-2-(4-carboxyphenyl)sulfanyl-1-hydroxypentadeca-3,5-dienyl]benzoic acid Traditional Name: 3-[(3E,5E)-2-[(4-carboxyphenyl)thio]-1-hydroxy-pentadeca-3,5-dienyl]benzoic acid Formula: C29H36O5S MolecularWeight: 496.65814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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