2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; ruthenium(2+); dithiocyanate; dihydrate

Systemtic Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; ruthenium(2+); dithiocyanate; dihydrate Openeye Name: 2-(4-carboxy-2-pyridyl)pyridine-4-carboxylic acid; ruthenium(2+); dithiocyanate; dihydrate CAS Name: 2-(4-carboxy-2-pyridinyl)-4-pyridinecarboxylic acid; ruthenium(2+); dithiocyanate; dihydrate IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; ruthenium(2+); dithiocyanate; dihydrate Traditional Name: 2-(4-carboxy-2-pyridyl)isonicotinic acid; ruthenium(2+); dithiocyanate; dihydrate Formula: C26H20N6O10RuS2 MolecularWeight: 741.6712

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.C(#N)[S-].C(#N)[S-].O.O.[Ru+2]

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.C(#N)[S-].C(#N)[S-].O.O.[Ru+2]

InChI

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