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

Systemtic Name: 6-[2-(2,2-dimethylpropanoyloxy)-5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-(2,2-dimethylpropanoyloxy)-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[2-(2,2-dimethyl-1-oxopropoxy)-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[2-(2,2-dimethylpropanoyloxy)-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]-2-pivaloyloxy-cyclopenten-1-yl]thio]hexanoate Formula: C26H43O6S- MolecularWeight: 483.68102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O6S/c1-6-7-11-18(2)16-19(27)13-14-20-21(28)17-22(32-25(31)26(3,4)5)24(20)33-15-10-8-9-12-23(29)30/h13-14,18-21,27-28H,6-12,15-17H2,1-5H3,(H,29,30)/p-1/b14-13+