1,10-phenanthroline; ruthenium(2+); dichloride; hexahydrate

Systemtic Name: 1,10-phenanthroline; ruthenium(2+); dichloride; hexahydrate Openeye Name: 1,10-phenanthroline; ruthenium(2+); dichloride; hexahydrate CAS Name: 1,10-phenanthroline; ruthenium(2+); dichloride; hexahydrate IUPAC Name: 1,10-phenanthroline; ruthenium(2+); dichloride; hexahydrate Traditional Name: 1,10-phenanthroline; ruthenium(2+); dichloride; hexahydrate Formula: C36H36Cl2N6O6Ru MolecularWeight: 820.68364

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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.O.O.O.O.O.[Cl-].[Cl-].[Ru+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.O.O.O.O.O.[Cl-].[Cl-].[Ru+2]

InChI

InChI=1S/3C12H8N2.2ClH.6H2O.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;/h3*1-8H;2*1H;6*1H2;/q;;;;;;;;;;;+2/p-2