4-[(Z)-9-oxidanyl-9-oxidanylidene-1-[4-(4-phenoxybutoxy)phenyl]non-2-en-4-yl]sulfanylbenzoic acid

Systemtic Name: 4-[(Z)-9-oxidanyl-9-oxidanylidene-1-[4-(4-phenoxybutoxy)phenyl]non-2-en-4-yl]sulfanylbenzoic acid Openeye Name: 4-[6-hydroxy-6-oxo-1-[(Z)-3-[4-(4-phenoxybutoxy)phenyl]prop-1-enyl]hexyl]sulfanylbenzoic acid CAS Name: 4-[[(Z)-9-hydroxy-9-oxo-1-[4-(4-phenoxybutoxy)phenyl]non-2-en-4-yl]thio]benzoic acid IUPAC Name: 4-[(Z)-9-hydroxy-9-oxo-1-[4-(4-phenoxybutoxy)phenyl]non-2-en-4-yl]sulfanylbenzoic acid Traditional Name: 4-[[(Z)-1-(5-hydroxy-5-keto-pentyl)-4-[4-(4-phenoxybutoxy)phenyl]but-2-enyl]thio]benzoic acid Formula: C32H36O6S MolecularWeight: 548.68964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)CC=CC(CCCCC(=O)O)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)C/C=C\C(CCCCC(=O)O)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C32H36O6S/c33-31(34)14-5-4-12-29(39-30-21-17-26(18-22-30)32(35)36)13-8-9-25-15-19-28(20-16-25)38-24-7-6-23-37-27-10-2-1-3-11-27/h1-3,8,10-11,13,15-22,29H,4-7,9,12,14,23-24H2,(H,33,34)(H,35,36)/b13-8-