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

Systemtic Name: 6-[2-methyl-5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]-2-methyl-cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-methyl-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-methylcyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]-2-methyl-cyclopenten-1-yl]thio]hexanoate Formula: C22H37O4S- MolecularWeight: 397.59178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O4S/c1-4-5-9-16(2)14-18(23)11-12-19-20(24)15-17(3)22(19)27-13-8-6-7-10-21(25)26/h11-12,16,18-20,23-24H,4-10,13-15H2,1-3H3,(H,25,26)/p-1/b12-11+