2-(carboxymethylsulfanyl)-4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-(3,4-dimethylphenyl)-4-oxo-butanoic acid CAS Name: 2-(carboxymethylthio)-4-(3,4-dimethylphenyl)-4-oxobutanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-(3,4-dimethylphenyl)-4-oxobutanoic acid Traditional Name: 2-(carboxymethylthio)-4-(3,4-dimethylphenyl)-4-keto-butyric acid Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O5S/c1-8-3-4-10(5-9(8)2)11(15)6-12(14(18)19)20-7-13(16)17/h3-5,12H,6-7H2,1-2H3,(H,16,17)(H,18,19)