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

Systemtic Name: 6-[2-ethanoyl-5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoic acid Openeye Name: 6-[2-acetyl-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid CAS Name: 6-[[2-acetyl-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-1-cyclopentenyl]thio]hexanoic acid IUPAC Name: 6-[2-acetyl-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopenten-1-yl]sulfanylhexanoic acid Traditional Name: 6-[[2-acetyl-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]thio]hexanoic acid Formula: C23H38O5S MolecularWeight: 426.60982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C=CC1C(CC(=C1SCCCCCC(=O)O)C(=O)C)O)O

Isomeric SMILES

CCCCC(C)CC(/C=C/C1C(CC(=C1SCCCCCC(=O)O)C(=O)C)O)O

InChI

InChI=1S/C23H38O5S/c1-4-5-9-16(2)14-18(25)11-12-19-21(26)15-20(17(3)24)23(19)29-13-8-6-7-10-22(27)28/h11-12,16,18-19,21,25-26H,4-10,13-15H2,1-3H3,(H,27,28)/b12-11+