2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; 2-pyridin-2-ylpyridine; ruthenium; ruthenium(2+); tetracyanide

Systemtic Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; 2-pyridin-2-ylpyridine; ruthenium; ruthenium(2+); tetracyanide Openeye Name: 2-(4-carboxy-2-pyridyl)pyridine-4-carboxylic acid; 2-(2-pyridyl)pyridine; ruthenium; ruthenium(2+); tetracyanide CAS Name: 2-(4-carboxy-2-pyridinyl)-4-pyridinecarboxylic acid; 2-(2-pyridinyl)pyridine; ruthenium; ruthenium(2+); tetracyanide IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; 2-pyridin-2-ylpyridine; ruthenium; ruthenium(2+); tetracyanide Traditional Name: 2-(4-carboxy-2-pyridyl)isonicotinic acid; 2-(2-pyridyl)pyridine; ruthenium; ruthenium(2+); tetracyanide Formula: C68H48N16O8Ru3 MolecularWeight: 1520.42112

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.[Ru].[Ru+2].[Ru+2]

Isomeric SMILES

[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.[Ru].[Ru+2].[Ru+2]

InChI

InChI=1S/2C12H8N2O4.4C10H8N2.4CN.3Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2;;;/h2*1-6H,(H,15,16)(H,17,18);4*1-8H;;;;;;;/q;;;;;;4*-1;;2*+2