ethanenitrile; iron(2+); 2-pyridin-2-ylpyridine; diperchlorate

Systemtic Name: ethanenitrile; iron(2+); 2-pyridin-2-ylpyridine; diperchlorate Openeye Name: ferrous; acetonitrile; 2-(2-pyridyl)pyridine; diperchlorate CAS Name: acetonitrile; iron(2+); 2-(2-pyridinyl)pyridine; diperchlorate IUPAC Name: acetonitrile; iron(2+); 2-pyridin-2-ylpyridine; diperchlorate Traditional Name: ferrous; acetonitrile; 2-(2-pyridyl)pyridine; diperchlorate Formula: C24H22Cl2FeN6O8 MolecularWeight: 649.21788

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

Isomeric SMILES

CC#N.CC#N.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

InChI

InChI=1S/2C10H8N2.2C2H3N.2ClHO4.Fe/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;2*2-1(3,4)5;/h2*1-8H;2*1H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2