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

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-nitrobenzenesulfonate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO7S/c1-11(16(18)12-3-7-14(23-2)8-4-12)24-25(21,22)15-9-5-13(6-10-15)17(19)20/h3-11H,1-2H3