bis(chloranyl)ruthenium; 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; dihydrate

Systemtic Name: bis(chloranyl)ruthenium; 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; dihydrate Openeye Name: 2-(4-carboxy-2-pyridyl)pyridine-4-carboxylic acid; dichlororuthenium; dihydrate CAS Name: 2-(4-carboxy-2-pyridinyl)-4-pyridinecarboxylic acid; dichlororuthenium; dihydrate IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; dichlororuthenium; dihydrate Traditional Name: 2-(4-carboxy-2-pyridyl)isonicotinic acid; dichlororuthenium; dihydrate Formula: C24H20Cl2N4O10Ru MolecularWeight: 696.4124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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.O.O.Cl[Ru]Cl

Isomeric SMILES

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.O.O.Cl[Ru]Cl

InChI

InChI=1S/2C12H8N2O4.2ClH.2H2O.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;;;/h2*1-6H,(H,15,16)(H,17,18);2*1H;2*1H2;/q;;;;;;+2/p-2