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

Systemtic Name: 1,10-phenanthroline; ruthenium(2+); dichloride; dihydrate Openeye Name: 1,10-phenanthroline; ruthenium(2+); dichloride; dihydrate CAS Name: 1,10-phenanthroline; ruthenium(2+); dichloride; dihydrate IUPAC Name: 1,10-phenanthroline; ruthenium(2+); dichloride; dihydrate Traditional Name: 1,10-phenanthroline; ruthenium(2+); dichloride; dihydrate Formula: C36H28Cl2N6O2Ru MolecularWeight: 748.62252

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

InChI

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