4-[(Z,5R,6S)-6,10-bis(oxidanyl)-10-oxidanylidene-1-phenyl-dec-3-en-5-yl]sulfanylbenzoic acid

Systemtic Name: 4-[(Z,5R,6S)-6,10-bis(oxidanyl)-10-oxidanylidene-1-phenyl-dec-3-en-5-yl]sulfanylbenzoic acid Openeye Name: 4-[(1R,2S)-2,6-dihydroxy-6-oxo-1-[(Z)-4-phenylbut-1-enyl]hexyl]sulfanylbenzoic acid CAS Name: 4-[[(Z,5R,6S)-6,10-dihydroxy-10-oxo-1-phenyldec-3-en-5-yl]thio]benzoic acid IUPAC Name: 4-[(Z,5R,6S)-6,10-dihydroxy-10-oxo-1-phenyldec-3-en-5-yl]sulfanylbenzoic acid Traditional Name: 4-[[(Z,1R)-1-[(1S)-1,5-dihydroxy-5-keto-pentyl]-5-phenyl-pent-2-enyl]thio]benzoic acid Formula: C23H26O5S MolecularWeight: 414.51454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O5S/c24-20(10-6-12-22(25)26)21(11-5-4-9-17-7-2-1-3-8-17)29-19-15-13-18(14-16-19)23(27)28/h1-3,5,7-8,11,13-16,20-21,24H,4,6,9-10,12H2,(H,25,26)(H,27,28)/b11-5-/t20-,21+/m0/s1