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

Systemtic Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; ruthenium(2+); dithiocyanate Openeye Name: 2-(4-carboxy-2-pyridyl)pyridine-4-carboxylic acid; ruthenium(2+); dithiocyanate CAS Name: 2-(4-carboxy-2-pyridinyl)-4-pyridinecarboxylic acid; ruthenium(2+); dithiocyanate IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; ruthenium(2+); dithiocyanate Traditional Name: 2-(4-carboxy-2-pyridyl)isonicotinic acid; ruthenium(2+); dithiocyanate Formula: C26H16N6O8RuS2 MolecularWeight: 705.64064

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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-].[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-].[Ru+2]

InChI

InChI=1S/2C12H8N2O4.2CHNS.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;/q;;;;+2/p-2