2-(carboxymethylsulfanyl)-4-(2-chloranyl-4-methyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-(2-chloranyl-4-methyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-(2-chloro-4-methyl-phenyl)-4-oxo-butanoic acid CAS Name: 2-(carboxymethylthio)-4-(2-chloro-4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-(2-chloro-4-methylphenyl)-4-oxobutanoic acid Traditional Name: 2-(carboxymethylthio)-4-(2-chloro-4-methyl-phenyl)-4-keto-butyric acid Formula: C13H13ClO5S MolecularWeight: 316.75732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClO5S/c1-7-2-3-8(9(14)4-7)10(15)5-11(13(18)19)20-6-12(16)17/h2-4,11H,5-6H2,1H3,(H,16,17)(H,18,19)