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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-nitrobenzenesulfonate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S/c1-11-3-5-13(6-4-11)16(18)12(2)23-24(21,22)15-9-7-14(8-10-15)17(19)20/h3-10,12H,1-2H3