4-(3-bromanyl-4-chloranyl-phenyl)-2-methylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-bromanyl-4-chloranyl-phenyl)-2-methylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-bromo-4-chloro-phenyl)-2-methylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3-bromo-4-chlorophenyl)-2-(methylthio)-4-oxobutanoic acid IUPAC Name: 4-(3-bromo-4-chlorophenyl)-2-methylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(3-bromo-4-chloro-phenyl)-4-keto-2-(methylthio)butyric acid Formula: C11H10BrClO3S MolecularWeight: 337.6173

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(=O)C1=CC(=C(C=C1)Cl)Br)C(=O)O

Isomeric SMILES

CSC(CC(=O)C1=CC(=C(C=C1)Cl)Br)C(=O)O

InChI

InChI=1S/C11H10BrClO3S/c1-17-10(11(15)16)5-9(14)6-2-3-8(13)7(12)4-6/h2-4,10H,5H2,1H3,(H,15,16)