4-[(Z,5S,6R)-1,5-bis(oxidanyl)-1-oxidanylidene-13-phenyl-tridec-7-en-6-yl]sulfanylbenzoic acid

Systemtic Name: 4-[(Z,5S,6R)-1,5-bis(oxidanyl)-1-oxidanylidene-13-phenyl-tridec-7-en-6-yl]sulfanylbenzoic acid Openeye Name: 4-[(Z,1R)-1-[(1S)-1,5-dihydroxy-5-oxo-pentyl]-8-phenyl-oct-2-enyl]sulfanylbenzoic acid CAS Name: 4-[[(Z,5S,6R)-1,5-dihydroxy-1-oxo-13-phenyltridec-7-en-6-yl]thio]benzoic acid IUPAC Name: 4-[(Z,5S,6R)-1,5-dihydroxy-1-oxo-13-phenyltridec-7-en-6-yl]sulfanylbenzoic acid Traditional Name: 4-[[(Z,1R)-1-[(1S)-1,5-dihydroxy-5-keto-pentyl]-8-phenyl-oct-2-enyl]thio]benzoic acid Formula: C26H32O5S MolecularWeight: 456.59428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC=CC(C(CCCC(=O)O)O)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC/C=C\[C@H]([C@H](CCCC(=O)O)O)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C26H32O5S/c27-23(13-9-15-25(28)29)24(32-22-18-16-21(17-19-22)26(30)31)14-8-3-1-2-5-10-20-11-6-4-7-12-20/h4,6-8,11-12,14,16-19,23-24,27H,1-3,5,9-10,13,15H2,(H,28,29)(H,30,31)/b14-8-/t23-,24+/m0/s1