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

Systemtic Name: 6-[2-butanoyloxy-5-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-butanoyloxy-4-hydroxy-5-[(E)-4-hydroxy-4-methyl-oct-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[4-hydroxy-5-[(E)-4-hydroxy-4-methyloct-1-enyl]-2-(1-oxobutoxy)-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[2-butanoyloxy-4-hydroxy-5-[(E)-4-hydroxy-4-methyloct-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-butyryloxy-4-hydroxy-5-[(E)-4-hydroxy-4-methyl-oct-1-enyl]cyclopenten-1-yl]thio]hexanoate Formula: C24H39O6S- MolecularWeight: 455.62786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC=CC1C(CC(=C1SCCCCCC(=O)[O-])OC(=O)CCC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H40O6S/c1-4-6-14-24(3,29)15-10-12-18-19(25)17-20(30-22(28)11-5-2)23(18)31-16-9-7-8-13-21(26)27/h10,12,18-19,25,29H,4-9,11,13-17H2,1-3H3,(H,26,27)/p-1/b12-10+