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

Systemtic Name: 6-[2-cyano-5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-cyano-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[2-cyano-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[2-cyano-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-cyano-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]thio]hexanoate Formula: C22H34NO4S- MolecularWeight: 408.57466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO4S/c1-3-4-8-16(2)13-18(24)10-11-19-20(25)14-17(15-23)22(19)28-12-7-5-6-9-21(26)27/h10-11,16,18-20,24-25H,3-9,12-14H2,1-2H3,(H,26,27)/p-1/b11-10+