ruthenium(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline; dichloride; hexahydrate

Systemtic Name: ruthenium(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline; dichloride; hexahydrate Openeye Name: ruthenium(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline; dichloride; hexahydrate CAS Name: ruthenium(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline; dichloride; hexahydrate IUPAC Name: ruthenium(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline; dichloride; hexahydrate Traditional Name: ruthenium(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline; dichloride; hexahydrate Formula: C48H60Cl2N6O6Ru MolecularWeight: 989.0026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.O.O.O.O.O.O.[Cl-].[Cl-].[Ru+2]

Isomeric SMILES

CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.O.O.O.O.O.O.[Cl-].[Cl-].[Ru+2]

InChI

InChI=1S/3C16H16N2.2ClH.6H2O.Ru/c3*1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;;;;;;;;;/h3*5-8H,1-4H3;2*1H;6*1H2;/q;;;;;;;;;;;+2/p-2