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

Systemtic Name: 2-oxidanylidene-5-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Openeye Name: 2-oxo-5-(phenylsulfanylmethyl)cyclopentanecarboxylic acid CAS Name: 2-oxo-5-[(phenylthio)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-oxo-5-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Traditional Name: 2-keto-5-[(phenylthio)methyl]cyclopentanecarboxylic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(=O)C(C1CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H14O3S/c14-11-7-6-9(12(11)13(15)16)8-17-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2,(H,15,16)