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

Systemtic Name: 4-[3,5-bis(chloranyl)-4-methyl-phenyl]-2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-(2-hydroxyethylsulfanyl)-4-oxo-butanoic acid CAS Name: 4-(3,5-dichloro-4-methylphenyl)-2-(2-hydroxyethylthio)-4-oxobutanoic acid IUPAC Name: 4-(3,5-dichloro-4-methylphenyl)-2-(2-hydroxyethylsulfanyl)-4-oxobutanoic acid Traditional Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-(2-hydroxyethylthio)-4-keto-butyric acid Formula: C13H14Cl2O4S MolecularWeight: 337.21886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14Cl2O4S/c1-7-9(14)4-8(5-10(7)15)11(17)6-12(13(18)19)20-3-2-16/h4-5,12,16H,2-3,6H2,1H3,(H,18,19)