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

Systemtic Name: iron(2+); 5-methyl-1,10-phenanthroline; diperchlorate Openeye Name: ferrous 5-methyl-1,10-phenanthroline diperchlorate CAS Name: iron(2+); 5-methyl-1,10-phenanthroline; diperchlorate IUPAC Name: iron(2+); 5-methyl-1,10-phenanthroline; diperchlorate Traditional Name: ferrous 5-methyl-1,10-phenanthroline diperchlorate Formula: C39H30Cl2FeN6O8 MolecularWeight: 837.4419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

Isomeric SMILES

CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

InChI

InChI=1S/3C13H10N2.2ClHO4.Fe/c3*1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;2*2-1(3,4)5;/h3*2-8H,1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2