[5-methoxy-2-(phenylcarbonyl)phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [5-methoxy-2-(phenylcarbonyl)phenyl] 4-nitrobenzenesulfonate Openeye Name: (2-benzoyl-5-methoxy-phenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-benzoyl-5-methoxyphenyl) ester IUPAC Name: (2-benzoyl-5-methoxyphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-benzoyl-5-methoxy-phenyl) ester Formula: C20H15NO7S MolecularWeight: 413.4006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO7S/c1-27-16-9-12-18(20(22)14-5-3-2-4-6-14)19(13-16)28-29(25,26)17-10-7-15(8-11-17)21(23)24/h2-13H,1H3