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

Systemtic Name: 6-[5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-2-(phenylcarbonyloxy)cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-benzoyloxy-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[2-benzoyloxy-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[2-benzoyloxy-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-benzoyloxy-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]thio]hexanoate Formula: C28H39O6S- MolecularWeight: 503.67066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O6S/c1-3-4-11-20(2)18-22(29)15-16-23-24(30)19-25(34-28(33)21-12-7-5-8-13-21)27(23)35-17-10-6-9-14-26(31)32/h5,7-8,12-13,15-16,20,22-24,29-30H,3-4,6,9-11,14,17-19H2,1-2H3,(H,31,32)/p-1/b16-15+