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

Systemtic Name: 4-[3,5-bis(chloranyl)-4-methyl-phenyl]-2-ethylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-ethylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3,5-dichloro-4-methylphenyl)-2-(ethylthio)-4-oxobutanoic acid IUPAC Name: 4-(3,5-dichloro-4-methylphenyl)-2-ethylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-(ethylthio)-4-keto-butyric acid Formula: C13H14Cl2O3S MolecularWeight: 321.21946

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC(=O)C1=CC(=C(C(=C1)Cl)C)Cl)C(=O)O

Isomeric SMILES

CCSC(CC(=O)C1=CC(=C(C(=C1)Cl)C)Cl)C(=O)O

InChI

InChI=1S/C13H14Cl2O3S/c1-3-19-12(13(17)18)6-11(16)8-4-9(14)7(2)10(15)5-8/h4-5,12H,3,6H2,1-2H3,(H,17,18)