[4-(phenylcarbonyl)phenyl] 2-methoxy-5-nitro-benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

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