4-[(Z,5S,6R)-1,5-bis(oxidanyl)-1-oxidanylidene-19-phenyl-nonadec-7-en-6-yl]sulfanylbenzoic acid

Systemtic Name: 4-[(Z,5S,6R)-1,5-bis(oxidanyl)-1-oxidanylidene-19-phenyl-nonadec-7-en-6-yl]sulfanylbenzoic acid Openeye Name: 4-[(Z,1R)-1-[(1S)-1,5-dihydroxy-5-oxo-pentyl]-14-phenyl-tetradec-2-enyl]sulfanylbenzoic acid CAS Name: 4-[[(Z,5S,6R)-1,5-dihydroxy-1-oxo-19-phenylnonadec-7-en-6-yl]thio]benzoic acid IUPAC Name: 4-[(Z,5S,6R)-1,5-dihydroxy-1-oxo-19-phenylnonadec-7-en-6-yl]sulfanylbenzoic acid Traditional Name: 4-[[(Z,1R)-1-[(1S)-1,5-dihydroxy-5-keto-pentyl]-14-phenyl-tetradec-2-enyl]thio]benzoic acid Formula: C32H44O5S MolecularWeight: 540.75376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44O5S/c33-29(19-15-21-31(34)35)30(38-28-24-22-27(23-25-28)32(36)37)20-14-9-7-5-3-1-2-4-6-8-11-16-26-17-12-10-13-18-26/h10,12-14,17-18,20,22-25,29-30,33H,1-9,11,15-16,19,21H2,(H,34,35)(H,36,37)/b20-14-/t29-,30+/m0/s1