2-oxidanylidene-5-(1-phenylsulfanylethyl)cyclopentane-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC(=O)C1C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(C1CCC(=O)C1C(=O)O)SC2=CC=CC=C2

InChI

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