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

Systemtic Name: 7-[2-(2-methyl-2-oxidanyl-4-phenyl-butyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2-methyl-4-phenyl-butyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2-methyl-4-phenylbutyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2-methyl-4-phenylbutyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2-methyl-4-phenyl-butyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C23H34O4S MolecularWeight: 406.57866

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)(CSC2CCC(=O)C2CCCCCCC(=O)O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)(CSC2CCC(=O)C2CCCCCCC(=O)O)O

InChI

InChI=1S/C23H34O4S/c1-23(27,16-15-18-9-5-4-6-10-18)17-28-21-14-13-20(24)19(21)11-7-2-3-8-12-22(25)26/h4-6,9-10,19,21,27H,2-3,7-8,11-17H2,1H3,(H,25,26)