(1-oxidanylidene-1-phenyl-propan-2-yl) 4-nitrobenzenesulfonate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-nitrobenzenesulfonate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO6S/c1-11(15(17)12-5-3-2-4-6-12)22-23(20,21)14-9-7-13(8-10-14)16(18)19/h2-11H,1H3