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

Systemtic Name: 6-[5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-4-oxidanyl-2-(trifluoromethyl)cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]-2-(trifluoromethyl)cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-(trifluoromethyl)-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[4-hydroxy-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-(trifluoromethyl)cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]-2-(trifluoromethyl)cyclopenten-1-yl]thio]hexanoate Formula: C22H34F3O4S- MolecularWeight: 451.56317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35F3O4S/c1-3-4-8-15(2)13-16(26)10-11-17-19(27)14-18(22(23,24)25)21(17)30-12-7-5-6-9-20(28)29/h10-11,15-17,19,26-27H,3-9,12-14H2,1-2H3,(H,28,29)/p-1/b11-10+