1-methyl-3-oxidanyl-5-oxidanylidene-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid

Systemtic Name: 1-methyl-3-oxidanyl-5-oxidanylidene-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Openeye Name: 3-hydroxy-1-methyl-5-oxo-2-(phenylsulfanylmethyl)cyclopentanecarboxylic acid CAS Name: 3-hydroxy-1-methyl-5-oxo-2-[(phenylthio)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 3-hydroxy-1-methyl-5-oxo-2-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Traditional Name: 3-hydroxy-5-keto-1-methyl-2-[(phenylthio)methyl]cyclopentanecarboxylic acid Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O4S/c1-14(13(17)18)10(11(15)7-12(14)16)8-19-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3,(H,17,18)