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

Systemtic Name: 7-[2-oxidanylidene-5-(2,5,5-trimethyl-2-oxidanyl-hexyl)sulfanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2,5,5-trimethyl-hexyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2,5,5-trimethylhexyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2,5,5-trimethylhexyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2,5,5-trimethyl-hexyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C21H38O4S MolecularWeight: 386.58902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38O4S/c1-20(2,3)13-14-21(4,25)15-26-18-12-11-17(22)16(18)9-7-5-6-8-10-19(23)24/h16,18,25H,5-15H2,1-4H3,(H,23,24)