2-[(4-methylphenyl)sulfanylmethyl]-5-oxidanylidene-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[(4-methylphenyl)sulfanylmethyl]-5-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 2-oxo-5-(p-tolylsulfanylmethyl)cyclopentanecarboxylic acid CAS Name: 2-[[(4-methylphenyl)thio]methyl]-5-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(4-methylphenyl)sulfanylmethyl]-5-oxocyclopentane-1-carboxylic acid Traditional Name: 2-keto-5-[(p-tolylthio)methyl]cyclopentanecarboxylic acid Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2CCC(=O)C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2CCC(=O)C2C(=O)O

InChI

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