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

Systemtic Name: 6-[5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-2-pentyl-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]-2-pentyl-cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-pentyl-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-pentylcyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-amyl-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]thio]hexanoate Formula: C26H45O4S- MolecularWeight: 453.6981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(C(C1)O)C=CC(CC(C)CCCC)O)SCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCC1=C(C(C(C1)O)/C=C/C(CC(C)CCCC)O)SCCCCCC(=O)[O-]

InChI

InChI=1S/C26H46O4S/c1-4-6-9-13-21-19-24(28)23(16-15-22(27)18-20(3)12-7-5-2)26(21)31-17-11-8-10-14-25(29)30/h15-16,20,22-24,27-28H,4-14,17-19H2,1-3H3,(H,29,30)/p-1/b16-15+