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

Systemtic Name: 6-[2-butanoyloxy-5-[(E)-4,4-dimethyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-butanoyloxy-4-hydroxy-5-[(E)-3-hydroxy-4,4-dimethyl-non-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-4,4-dimethylnon-1-enyl]-2-(1-oxobutoxy)-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[2-butanoyloxy-4-hydroxy-5-[(E)-3-hydroxy-4,4-dimethylnon-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-butyryloxy-4-hydroxy-5-[(E)-3-hydroxy-4,4-dimethyl-non-1-enyl]cyclopenten-1-yl]thio]hexanoate Formula: C26H43O6S- MolecularWeight: 483.68102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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