iron(2+); 4-methyl-2-(4-methylpyridin-2-yl)pyridine; diperchlorate

Systemtic Name: iron(2+); 4-methyl-2-(4-methylpyridin-2-yl)pyridine; diperchlorate Openeye Name: ferrous 4-methyl-2-(4-methyl-2-pyridyl)pyridine diperchlorate CAS Name: iron(2+); 4-methyl-2-(4-methyl-2-pyridinyl)pyridine; diperchlorate IUPAC Name: iron(2+); 4-methyl-2-(4-methylpyridin-2-yl)pyridine; diperchlorate Traditional Name: ferrous 4-methyl-2-(4-methyl-2-pyridyl)pyridine diperchlorate Formula: C36H36Cl2FeN6O8 MolecularWeight: 807.45744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

Isomeric SMILES

CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

InChI

InChI=1S/3C12H12N2.2ClHO4.Fe/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*2-1(3,4)5;/h3*3-8H,1-2H3;2*(H,2,3,4,5);/q;;;;;+2/p-2