2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; 4,7-diphenyl-1,10-phenanthroline; ruthenium

Systemtic Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; 4,7-diphenyl-1,10-phenanthroline; ruthenium Openeye Name: 2-(4-carboxy-2-pyridyl)pyridine-4-carboxylic acid; 4,7-diphenyl-1,10-phenanthroline; ruthenium CAS Name: 2-(4-carboxy-2-pyridinyl)-4-pyridinecarboxylic acid; 4,7-diphenyl-1,10-phenanthroline; ruthenium IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; 4,7-diphenyl-1,10-phenanthroline; ruthenium Traditional Name: 2-(4-carboxy-2-pyridyl)isonicotinic acid; 4,7-diphenyl-1,10-phenanthroline; ruthenium Formula: C60H40N6O4Ru MolecularWeight: 1010.0674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.[Ru]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.[Ru]

InChI

InChI=1S/2C24H16N2.C12H8N2O4.Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h2*1-16H;1-6H,(H,15,16)(H,17,18);