2-oxidanylidene-5-[(phenylmethylsulfanyl)methyl]cyclopentane-1-carboxylic acid

Systemtic Name: 2-oxidanylidene-5-[(phenylmethylsulfanyl)methyl]cyclopentane-1-carboxylic acid Openeye Name: 2-(benzylsulfanylmethyl)-5-oxo-cyclopentanecarboxylic acid CAS Name: 2-oxo-5-[(phenylmethylthio)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-(benzylsulfanylmethyl)-5-oxocyclopentane-1-carboxylic acid Traditional Name: 2-[(benzylthio)methyl]-5-keto-cyclopentanecarboxylic acid Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(=O)C(C1CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H16O3S/c15-12-7-6-11(13(12)14(16)17)9-18-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,16,17)