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

Systemtic Name: 6-[2-butanoyloxy-5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-butanoyloxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-(1-oxobutoxy)-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[2-butanoyloxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-butyryloxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]thio]hexanoate Formula: C25H41O5S- MolecularWeight: 453.65504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C=CC1CCC(=C1SCCCCCC(=O)[O-])OC(=O)CCC)O

Isomeric SMILES

CCCCC(C)CC(/C=C/C1CCC(=C1SCCCCCC(=O)[O-])OC(=O)CCC)O

InChI

InChI=1S/C25H42O5S/c1-4-6-11-19(3)18-21(26)15-13-20-14-16-22(30-24(29)10-5-2)25(20)31-17-9-7-8-12-23(27)28/h13,15,19-21,26H,4-12,14,16-18H2,1-3H3,(H,27,28)/p-1/b15-13+