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

Systemtic Name: 4-(4-bromophenyl)-4-oxidanylidene-2-(phenylcarbonylsulfanylmethyl)butanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-4-(4-bromophenyl)-4-oxo-butanoic acid CAS Name: 2-[(benzoylthio)methyl]-4-(4-bromophenyl)-4-oxobutanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-4-(4-bromophenyl)-4-oxobutanoic acid Traditional Name: 2-[(benzoylthio)methyl]-4-(4-bromophenyl)-4-keto-butyric acid Formula: C18H15BrO4S MolecularWeight: 407.2783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrO4S/c19-15-8-6-12(7-9-15)16(20)10-14(17(21)22)11-24-18(23)13-4-2-1-3-5-13/h1-9,14H,10-11H2,(H,21,22)