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

Systemtic Name: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 4-nitrobenzenesulfonate Openeye Name: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-ethyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H19NO7S MolecularWeight: 441.45376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO7S/c1-16(30-31(27,28)21-13-9-19(10-14-21)23(25)26)22(24)18-7-11-20(12-8-18)29-15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3