iron(2+); 2-pyridin-2-ylpyridine; tetraperchlorate; trihydrate

Systemtic Name: iron(2+); 2-pyridin-2-ylpyridine; tetraperchlorate; trihydrate Openeye Name: diferrous 2-(2-pyridyl)pyridine tetraperchlorate trihydrate CAS Name: iron(2+); 2-(2-pyridinyl)pyridine; tetraperchlorate; trihydrate IUPAC Name: iron(2+); 2-pyridin-2-ylpyridine; tetraperchlorate; trihydrate Traditional Name: diferrous 2-(2-pyridyl)pyridine tetraperchlorate trihydrate Formula: C40H38Cl4Fe2N8O19 MolecularWeight: 1188.27392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C10H8N2.4ClHO4.2Fe.3H2O/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*2-1(3,4)5;;;;;/h4*1-8H;4*(H,2,3,4,5);;;3*1H2/q;;;;;;;;2*+2;;;/p-4