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

Systemtic Name: 1,10-phenanthroline; ruthenium(2+); dichloride; hydrate Openeye Name: 1,10-phenanthroline; ruthenium(2+); dichloride; hydrate CAS Name: 1,10-phenanthroline; ruthenium(2+); dichloride; hydrate IUPAC Name: 1,10-phenanthroline; ruthenium(2+); dichloride; hydrate Traditional Name: 1,10-phenanthroline; ruthenium(2+); dichloride; hydrate Formula: C36H26Cl2N6ORu MolecularWeight: 730.60724

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

InChI

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