(E)-bis(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-1-ium-1-yl)diazene; methanesulfonate

Systemtic Name: (E)-bis(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-1-ium-1-yl)diazene; methanesulfonate Openeye Name: (E)-bis(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-1-ium-1-yl)diazene; methanesulfonate CAS Name: (E)-bis(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-1-ium-1-yl)diazene; methanesulfonate IUPAC Name: (E)-bis(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-1-ium-1-yl)diazene; methanesulfonate Traditional Name: (E)-bis(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-1-ium-1-yl)diazene dimesylate Formula: C30H34N6O6S2 MolecularWeight: 638.75756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C([NH+](C2=CC=CC=C21)N=N[NH+]3C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C6=CC=CC=C6.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CN1C([NH+](C2=CC=CC=C21)/N=N/[NH+]3C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C6=CC=CC=C6.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C28H26N6.2CH4O3S/c1-31-23-17-9-11-19-25(23)33(27(31)21-13-5-3-6-14-21)29-30-34-26-20-12-10-18-24(26)32(2)28(34)22-15-7-4-8-16-22;2*1-5(2,3)4/h3-20,27-28H,1-2H3;2*1H3,(H,2,3,4)/b30-29+;;