iron(2+); 5-nitro-1,10-phenanthroline; diperchlorate

Systemtic Name: iron(2+); 5-nitro-1,10-phenanthroline; diperchlorate Openeye Name: ferrous 5-nitro-1,10-phenanthroline diperchlorate CAS Name: iron(2+); 5-nitro-1,10-phenanthroline; diperchlorate IUPAC Name: iron(2+); 5-nitro-1,10-phenanthroline; diperchlorate Traditional Name: ferrous 5-nitro-1,10-phenanthroline diperchlorate Formula: C36H21Cl2FeN9O14 MolecularWeight: 930.35484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

Isomeric SMILES

C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

InChI

InChI=1S/3C12H7N3O2.2ClHO4.Fe/c3*16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12;2*2-1(3,4)5;/h3*1-7H;2*(H,2,3,4,5);/q;;;;;+2/p-2