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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCC(CSC1CCC(=O)C1CCCCCCC(=O)O)O

Isomeric SMILES

CC(C)(C)CCCCC(CSC1CCC(=O)C1CCCCCCC(=O)O)O

InChI

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