6-[4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]-2-(phenylcarbonyloxy)cyclopenten-1-yl]sulfanylhexanoate

Systemtic Name: 6-[4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]-2-(phenylcarbonyloxy)cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-benzoyloxy-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[2-benzoyloxy-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[2-benzoyloxy-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-benzoyloxy-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]thio]hexanoate Formula: C26H35O6S- MolecularWeight: 475.6175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=C1SCCCCCC(=O)[O-])OC(=O)C2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=C1SCCCCCC(=O)[O-])OC(=O)C2=CC=CC=C2)O)O

InChI

InChI=1S/C26H36O6S/c1-2-3-6-13-20(27)15-16-21-22(28)18-23(32-26(31)19-11-7-4-8-12-19)25(21)33-17-10-5-9-14-24(29)30/h4,7-8,11-12,15-16,20-22,27-28H,2-3,5-6,9-10,13-14,17-18H2,1H3,(H,29,30)/p-1/b16-15+