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

Systemtic Name: iron(2+); 1,10-phenanthroline; diperchlorate Openeye Name: ferrous 1,10-phenanthroline diperchlorate CAS Name: iron(2+); 1,10-phenanthroline; diperchlorate IUPAC Name: iron(2+); 1,10-phenanthroline; diperchlorate Traditional Name: ferrous 1,10-phenanthroline diperchlorate Formula: C36H24Cl2FeN6O8 MolecularWeight: 795.36216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

InChI

InChI=1S/3C12H8N2.2ClHO4.Fe/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2