2-(carboxymethylsulfanyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 2-(carboxymethylthio)-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: 2-(carboxymethylthio)-4-keto-4-(p-tolyl)butyric acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O

InChI

InChI=1S/C13H14O5S/c1-8-2-4-9(5-3-8)10(14)6-11(13(17)18)19-7-12(15)16/h2-5,11H,6-7H2,1H3,(H,15,16)(H,17,18)