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

Systemtic Name: methyl 6-[2-butanoyloxy-5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: methyl 6-[2-butanoyloxy-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-(1-oxobutoxy)-1-cyclopentenyl]thio]hexanoic acid methyl ester IUPAC Name: methyl 6-[2-butanoyloxy-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-butyryloxy-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]thio]hexanoic acid methyl ester Formula: C26H44O6S MolecularWeight: 484.68896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O6S/c1-5-7-12-19(3)17-20(27)14-15-21-22(28)18-23(32-25(30)11-6-2)26(21)33-16-10-8-9-13-24(29)31-4/h14-15,19-22,27-28H,5-13,16-18H2,1-4H3/b15-14+