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

Systemtic Name: 1,2-dimethyl-5-oxidanylidene-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Openeye Name: 1,2-dimethyl-5-oxo-2-(phenylsulfanylmethyl)cyclopentanecarboxylic acid CAS Name: 1,2-dimethyl-5-oxo-2-[(phenylthio)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1,2-dimethyl-5-oxo-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Traditional Name: 5-keto-1,2-dimethyl-2-[(phenylthio)methyl]cyclopentanecarboxylic acid Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C1(C)C(=O)O)CSC2=CC=CC=C2

Isomeric SMILES

CC1(CCC(=O)C1(C)C(=O)O)CSC2=CC=CC=C2

InChI

InChI=1S/C15H18O3S/c1-14(10-19-11-6-4-3-5-7-11)9-8-12(16)15(14,2)13(17)18/h3-7H,8-10H2,1-2H3,(H,17,18)