4-[3,5-bis(chloranyl)-4-methyl-phenyl]-2-(2-carboxyethylsulfanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3,5-bis(chloranyl)-4-methyl-phenyl]-2-(2-carboxyethylsulfanyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(2-carboxyethylsulfanyl)-4-(3,5-dichloro-4-methyl-phenyl)-4-oxo-butanoic acid CAS Name: 2-(2-carboxyethylthio)-4-(3,5-dichloro-4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 2-(2-carboxyethylsulfanyl)-4-(3,5-dichloro-4-methylphenyl)-4-oxobutanoic acid Traditional Name: 2-(2-carboxyethylthio)-4-(3,5-dichloro-4-methyl-phenyl)-4-keto-butyric acid Formula: C14H14Cl2O5S MolecularWeight: 365.22896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C(=O)CC(C(=O)O)SCCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C(=O)CC(C(=O)O)SCCC(=O)O)Cl

InChI

InChI=1S/C14H14Cl2O5S/c1-7-9(15)4-8(5-10(7)16)11(17)6-12(14(20)21)22-3-2-13(18)19/h4-5,12H,2-3,6H2,1H3,(H,18,19)(H,20,21)