2-(4-carboxypyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+); tetrabutylazanium; diisothiocyanate

Systemtic Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+); tetrabutylazanium; diisothiocyanate Openeye Name: 2-(4-carboxy-2-pyridyl)pyridine-4-carboxylate; ruthenium(2+); tetrabutylammonium; diisothiocyanate CAS Name: 2-(4-carboxy-2-pyridinyl)-4-pyridinecarboxylate; ruthenium(2+); tetrabutylammonium; diisothiocyanate IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+); tetrabutylazanium; diisothiocyanate Traditional Name: 2-(4-carboxy-2-pyridyl)isonicotinate; ruthenium(2+); tetrabutylammonium; diisothiocyanate Formula: C58H86N8O8RuS2 MolecularWeight: 1188.55224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.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

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.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/2C16H36N.2C12H8N2O4.2CNS.Ru/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*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*5-16H2,1-4H3;2*1-6H,(H,15,16)(H,17,18);;;/q2*+1;;;2*-1;+2/p-2