7-[2-(3,3-dimethyl-2-oxidanyl-4-phenyl-butyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-(3,3-dimethyl-2-oxidanyl-4-phenyl-butyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-3,3-dimethyl-4-phenyl-butyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-3,3-dimethyl-4-phenylbutyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-3,3-dimethyl-4-phenylbutyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-3,3-dimethyl-4-phenyl-butyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C24H36O4S MolecularWeight: 420.60524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)C(CSC2CCC(=O)C2CCCCCCC(=O)O)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)C(CSC2CCC(=O)C2CCCCCCC(=O)O)O

InChI

InChI=1S/C24H36O4S/c1-24(2,16-18-10-6-5-7-11-18)22(26)17-29-21-15-14-20(25)19(21)12-8-3-4-9-13-23(27)28/h5-7,10-11,19,21-22,26H,3-4,8-9,12-17H2,1-2H3,(H,27,28)