7-[2-(3,3-dimethyl-2-oxidanyl-octyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-(3,3-dimethyl-2-oxidanyl-octyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-3,3-dimethyl-octyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-3,3-dimethyloctyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-3,3-dimethyloctyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-3,3-dimethyl-octyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C22H40O4S MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCC(=O)O)O

Isomeric SMILES

CCCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCC(=O)O)O

InChI

InChI=1S/C22H40O4S/c1-4-5-10-15-22(2,3)20(24)16-27-19-14-13-18(23)17(19)11-8-6-7-9-12-21(25)26/h17,19-20,24H,4-16H2,1-3H3,(H,25,26)