4-(3-bromophenyl)-2-methylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-bromophenyl)-2-methylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-bromophenyl)-2-methylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3-bromophenyl)-2-(methylthio)-4-oxobutanoic acid IUPAC Name: 4-(3-bromophenyl)-2-methylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(3-bromophenyl)-4-keto-2-(methylthio)butyric acid Formula: C11H11BrO3S MolecularWeight: 303.17224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11BrO3S/c1-16-10(11(14)15)6-9(13)7-3-2-4-8(12)5-7/h2-5,10H,6H2,1H3,(H,14,15)