iron(2+); 1,10-phenanthroline; tetraperchlorate; trihydrate

Systemtic Name: iron(2+); 1,10-phenanthroline; tetraperchlorate; trihydrate Openeye Name: diferrous 1,10-phenanthroline tetraperchlorate trihydrate CAS Name: iron(2+); 1,10-phenanthroline; tetraperchlorate; trihydrate IUPAC Name: iron(2+); 1,10-phenanthroline; tetraperchlorate; trihydrate Traditional Name: diferrous 1,10-phenanthroline tetraperchlorate trihydrate Formula: C48H38Cl4Fe2N8O19 MolecularWeight: 1284.35952

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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.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.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=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.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.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/4C12H8N2.4ClHO4.2Fe.3H2O/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*2-1(3,4)5;;;;;/h4*1-8H;4*(H,2,3,4,5);;;3*1H2/q;;;;;;;;2*+2;;;/p-4