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

Systemtic Name: 7-[2-(5,5-dimethyl-2-oxidanyl-hexyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-5,5-dimethyl-hexyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-5,5-dimethylhexyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-5,5-dimethylhexyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-5,5-dimethyl-hexyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C20H36O4S MolecularWeight: 372.56244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36O4S/c1-20(2,3)13-12-15(21)14-25-18-11-10-17(22)16(18)8-6-4-5-7-9-19(23)24/h15-16,18,21H,4-14H2,1-3H3,(H,23,24)