2-(2-carboxyethylsulfanyl)-4-(3,4-dichlorophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(2-carboxyethylsulfanyl)-4-(3,4-dichlorophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(2-carboxyethylsulfanyl)-4-(3,4-dichlorophenyl)-4-oxo-butanoic acid CAS Name: 2-(2-carboxyethylthio)-4-(3,4-dichlorophenyl)-4-oxobutanoic acid IUPAC Name: 2-(2-carboxyethylsulfanyl)-4-(3,4-dichlorophenyl)-4-oxobutanoic acid Traditional Name: 2-(2-carboxyethylthio)-4-(3,4-dichlorophenyl)-4-keto-butyric acid Formula: C13H12Cl2O5S MolecularWeight: 351.20238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)CC(C(=O)O)SCCC(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)CC(C(=O)O)SCCC(=O)O)Cl)Cl

InChI

InChI=1S/C13H12Cl2O5S/c14-8-2-1-7(5-9(8)15)10(16)6-11(13(19)20)21-4-3-12(17)18/h1-2,5,11H,3-4,6H2,(H,17,18)(H,19,20)