2-(4-ethanoylpyridin-2-yl)pyridine-4-carboxylic acid; ruthenium(2+); diisothiocyanate

Systemtic Name: 2-(4-ethanoylpyridin-2-yl)pyridine-4-carboxylic acid; ruthenium(2+); diisothiocyanate Openeye Name: 2-(4-acetyl-2-pyridyl)pyridine-4-carboxylic acid; ruthenium(2+); diisothiocyanate CAS Name: 2-(4-acetyl-2-pyridinyl)-4-pyridinecarboxylic acid; ruthenium(2+); diisothiocyanate IUPAC Name: 2-(4-acetylpyridin-2-yl)pyridine-4-carboxylic acid; ruthenium(2+); diisothiocyanate Traditional Name: 2-(4-acetyl-2-pyridyl)isonicotinic acid; ruthenium(2+); diisothiocyanate Formula: C28H20N6O6RuS2 MolecularWeight: 701.695

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)O.CC(=O)C1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)O.C(=[N-])=S.C(=[N-])=S.[Ru+2]

Isomeric SMILES

CC(=O)C1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)O.CC(=O)C1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)O.C(=[N-])=S.C(=[N-])=S.[Ru+2]

InChI

InChI=1S/2C13H10N2O3.2CNS.Ru/c2*1-8(16)9-2-4-14-11(6-9)12-7-10(13(17)18)3-5-15-12;2*2-1-3;/h2*2-7H,1H3,(H,17,18);;;/q;;2*-1;+2