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

Systemtic Name: 7-[2-(3,3-dimethyl-2-oxidanyl-hexyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-3,3-dimethyl-hexyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-3,3-dimethylhexyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-3,3-dimethylhexyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-3,3-dimethyl-hexyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C20H36O4S MolecularWeight: 372.56244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCC(=O)O)O

Isomeric SMILES

CCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCC(=O)O)O

InChI

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