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

Systemtic Name: 7-[2-(3,3-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-3,3-dimethyl-nonyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-3,3-dimethylnonyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-3,3-dimethylnonyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-3,3-dimethyl-nonyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C23H42O4S MolecularWeight: 414.64218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCC(=O)O)O

InChI

InChI=1S/C23H42O4S/c1-4-5-6-11-16-23(2,3)21(25)17-28-20-15-14-19(24)18(20)12-9-7-8-10-13-22(26)27/h18,20-21,25H,4-17H2,1-3H3,(H,26,27)