[5-methoxy-2-(phenylcarbonyl)phenyl] 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: [5-methoxy-2-(phenylcarbonyl)phenyl] 2-methyl-3-nitro-benzenesulfonate Openeye Name: (2-benzoyl-5-methoxy-phenyl) 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid (2-benzoyl-5-methoxyphenyl) ester IUPAC Name: (2-benzoyl-5-methoxyphenyl) 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-nitro-benzenesulfonic acid (2-benzoyl-5-methoxy-phenyl) ester Formula: C21H17NO7S MolecularWeight: 427.42718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)OC2=C(C=CC(=C2)OC)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)OC2=C(C=CC(=C2)OC)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO7S/c1-14-18(22(24)25)9-6-10-20(14)30(26,27)29-19-13-16(28-2)11-12-17(19)21(23)15-7-4-3-5-8-15/h3-13H,1-2H3