[4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxy-phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxy-phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxy-phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxy-phenyl] ester Formula: C28H21N3O6S MolecularWeight: 527.54784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)OS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)OS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21N3O6S/c1-36-25-17-21(15-16-24(25)37-38(34,35)23-14-8-13-22(18-23)31(32)33)28-29-26(19-9-4-2-5-10-19)27(30-28)20-11-6-3-7-12-20/h2-18H,1H3,(H,29,30)