[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-nitrobenzenesulfonate

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-nitrobenzenesulfonate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C15H12BrNO6S MolecularWeight: 414.22788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrNO6S/c1-10(15(18)11-2-4-12(16)5-3-11)23-24(21,22)14-8-6-13(7-9-14)17(19)20/h2-10H,1H3