4-[(Z)-8-oxidanyl-8-oxidanylidene-1-[4-(4-phenoxybutoxy)phenyl]oct-2-en-4-yl]sulfanylbenzoic acid

Systemtic Name: 4-[(Z)-8-oxidanyl-8-oxidanylidene-1-[4-(4-phenoxybutoxy)phenyl]oct-2-en-4-yl]sulfanylbenzoic acid Openeye Name: 4-[5-hydroxy-5-oxo-1-[(Z)-3-[4-(4-phenoxybutoxy)phenyl]prop-1-enyl]pentyl]sulfanylbenzoic acid CAS Name: 4-[[(Z)-8-hydroxy-8-oxo-1-[4-(4-phenoxybutoxy)phenyl]oct-2-en-4-yl]thio]benzoic acid IUPAC Name: 4-[(Z)-8-hydroxy-8-oxo-1-[4-(4-phenoxybutoxy)phenyl]oct-2-en-4-yl]sulfanylbenzoic acid Traditional Name: 4-[[(Z)-1-(4-hydroxy-4-keto-butyl)-4-[4-(4-phenoxybutoxy)phenyl]but-2-enyl]thio]benzoic acid Formula: C31H34O6S MolecularWeight: 534.66306

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H34O6S/c32-30(33)13-7-12-28(38-29-20-16-25(17-21-29)31(34)35)11-6-8-24-14-18-27(19-15-24)37-23-5-4-22-36-26-9-2-1-3-10-26/h1-3,6,9-11,14-21,28H,4-5,7-8,12-13,22-23H2,(H,32,33)(H,34,35)/b11-6-