N-[bis(4-naphthalen-1-yl-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl)methylideneamino]-4-nitro-aniline diperchlorate

Systemtic Name: N-[bis(4-naphthalen-1-yl-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl)methylideneamino]-4-nitro-aniline diperchlorate Openeye Name: N-[bis[4-(1-naphthyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl]methyleneamino]-4-nitro-aniline diperchlorate CAS Name: N-[bis[4-(1-naphthalenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl]methylideneamino]-4-nitroaniline diperchlorate IUPAC Name: N-[bis(4-naphthalen-1-yl-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl)methylideneamino]-4-nitroaniline diperchlorate Traditional Name: [bis[4-(1-naphthyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-yl]methyleneamino]-(4-nitrophenyl)amine diperchlorate Formula: C55H39Cl2N9O10 MolecularWeight: 1056.85846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=NN2C3=CC=CC=C3)C(=NNC4=CC=C(C=C4)[N+](=O)[O-])C5=NN(C(=[N+]5C6=CC=CC7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC2=CC=CC=C21.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C(=NN2C3=CC=CC=C3)C(=NNC4=CC=C(C=C4)[N+](=O)[O-])C5=NN(C(=[N+]5C6=CC=CC7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC2=CC=CC=C21.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C55H39N9O2.2ClHO4/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;2*2-1(3,4)5/h1-38,56H;2*(H,2,3,4,5)/q+2;;/p-2