bis(4-naphthalen-1-yl-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl)methyl-(4-nitrophenyl)diazene

Systemtic Name: bis(4-naphthalen-1-yl-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl)methyl-(4-nitrophenyl)diazene Openeye Name: bis[4-(1-naphthyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl]methyl-(4-nitrophenyl)diazene CAS Name: bis[4-(1-naphthalenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl]methyl-(4-nitrophenyl)diazene IUPAC Name: bis(4-naphthalen-1-yl-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl)methyl-(4-nitrophenyl)diazene Traditional Name: bis[4-(1-naphthyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl]methyl-(4-nitrophenyl)diazene Formula: C55H39N9O2+2 MolecularWeight: 857.95726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=NN2C3=CC=CC=C3)C(C4=NN(C(=[N+]4C5=CC=CC6=CC=CC=C65)C7=CC=CC=C7)C8=CC=CC=C8)N=NC9=CC=C(C=C9)[N+](=O)[O-])C1=CC=CC2=CC=CC=C21

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C(=NN2C3=CC=CC=C3)C(C4=NN(C(=[N+]4C5=CC=CC6=CC=CC=C65)C7=CC=CC=C7)C8=CC=CC=C8)N=NC9=CC=C(C=C9)[N+](=O)[O-])C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C55H39N9O2/c65-64(66)46-37-35-43(36-38-46)56-57-51(52-58-62(44-27-9-3-10-28-44)54(41-21-5-1-6-22-41)60(52)49-33-17-25-39-19-13-15-31-47(39)49)53-59-63(45-29-11-4-12-30-45)55(42-23-7-2-8-24-42)61(53)50-34-18-26-40-20-14-16-32-48(40)50/h1-38,51H/q+2