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

Systemtic Name: 6-[2-(3,3-dimethylbutyl)-5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-(3,3-dimethylbutyl)-4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]cyclopenten-1-yl]thio]hexanoate Formula: C27H47O4S- MolecularWeight: 467.72468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48O4S/c1-6-7-11-20(2)18-22(28)13-14-23-24(29)19-21(15-16-27(3,4)5)26(23)32-17-10-8-9-12-25(30)31/h13-14,20,22-24,28-29H,6-12,15-19H2,1-5H3,(H,30,31)/p-1/b14-13+