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

Systemtic Name: 4-(3-bromophenyl)-2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-bromophenyl)-2-(2-hydroxyethylsulfanyl)-4-oxo-butanoic acid CAS Name: 4-(3-bromophenyl)-2-(2-hydroxyethylthio)-4-oxobutanoic acid IUPAC Name: 4-(3-bromophenyl)-2-(2-hydroxyethylsulfanyl)-4-oxobutanoic acid Traditional Name: 4-(3-bromophenyl)-2-(2-hydroxyethylthio)-4-keto-butyric acid Formula: C12H13BrO4S MolecularWeight: 333.19822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO4S/c13-9-3-1-2-8(6-9)10(15)7-11(12(16)17)18-5-4-14/h1-3,6,11,14H,4-5,7H2,(H,16,17)