4-(4-bromophenyl)-2-(carboxymethylsulfanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-(carboxymethylsulfanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-(carboxymethylsulfanyl)-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-(carboxymethylthio)-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-(carboxymethylsulfanyl)-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-2-(carboxymethylthio)-4-keto-butyric acid Formula: C12H11BrO5S MolecularWeight: 347.18174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C(=O)O)SCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(C(=O)O)SCC(=O)O)Br

InChI

InChI=1S/C12H11BrO5S/c13-8-3-1-7(2-4-8)9(14)5-10(12(17)18)19-6-11(15)16/h1-4,10H,5-6H2,(H,15,16)(H,17,18)