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

Systemtic Name: 4-(3-bromophenyl)-4-oxidanylidene-2-phenylsulfanyl-butanoic acid Openeye Name: 4-(3-bromophenyl)-4-oxo-2-phenylsulfanyl-butanoic acid CAS Name: 4-(3-bromophenyl)-4-oxo-2-(phenylthio)butanoic acid IUPAC Name: 4-(3-bromophenyl)-4-oxo-2-phenylsulfanylbutanoic acid Traditional Name: 4-(3-bromophenyl)-4-keto-2-(phenylthio)butyric acid Formula: C16H13BrO3S MolecularWeight: 365.24162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(CC(=O)C2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC(CC(=O)C2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C16H13BrO3S/c17-12-6-4-5-11(9-12)14(18)10-15(16(19)20)21-13-7-2-1-3-8-13/h1-9,15H,10H2,(H,19,20)