2-methyl-5-oxidanylidene-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid

Systemtic Name: 2-methyl-5-oxidanylidene-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Openeye Name: 2-methyl-5-oxo-2-(phenylsulfanylmethyl)cyclopentanecarboxylic acid CAS Name: 2-methyl-5-oxo-2-[(phenylthio)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-methyl-5-oxo-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Traditional Name: 5-keto-2-methyl-2-[(phenylthio)methyl]cyclopentanecarboxylic acid Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C1C(=O)O)CSC2=CC=CC=C2

Isomeric SMILES

CC1(CCC(=O)C1C(=O)O)CSC2=CC=CC=C2

InChI

InChI=1S/C14H16O3S/c1-14(8-7-11(15)12(14)13(16)17)9-18-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,16,17)