nickel(2+); 4-[(4-nitrophenyl)methyl]pyridine; diperchlorate

Systemtic Name: nickel(2+); 4-[(4-nitrophenyl)methyl]pyridine; diperchlorate Openeye Name: nickelous 4-[(4-nitrophenyl)methyl]pyridine diperchlorate CAS Name: nickel(2+); 4-[(4-nitrophenyl)methyl]pyridine; diperchlorate IUPAC Name: nickel(2+); 4-[(4-nitrophenyl)methyl]pyridine; diperchlorate Traditional Name: nickelous 4-(4-nitrobenzyl)pyridine diperchlorate Formula: C48H40Cl2N8NiO16 MolecularWeight: 1114.4746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-].C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-].C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-].C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ni+2]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-].C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-].C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-].C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ni+2]

InChI

InChI=1S/4C12H10N2O2.2ClHO4.Ni/c4*15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11;2*2-1(3,4)5;/h4*1-8H,9H2;2*(H,2,3,4,5);/q;;;;;;+2/p-2