2-(4-carboxypyridin-2-yl)pyridine-4-carboxylate; 3-methylpentane-2,4-diol; ruthenium; tetrabutylazanium

Systemtic Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylate; 3-methylpentane-2,4-diol; ruthenium; tetrabutylazanium Openeye Name: 2-(4-carboxy-2-pyridyl)pyridine-4-carboxylate; 3-methylpentane-2,4-diol; ruthenium; tetrabutylammonium CAS Name: 2-(4-carboxy-2-pyridinyl)-4-pyridinecarboxylate; 3-methylpentane-2,4-diol; ruthenium; tetrabutylammonium IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylate; 3-methylpentane-2,4-diol; ruthenium; tetrabutylazanium Traditional Name: 2-(4-carboxy-2-pyridyl)isonicotinate; 3-methylpentane-2,4-diol; ruthenium; tetrabutylammonium Formula: C46H64N5O10Ru- MolecularWeight: 948.09786

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CC(C(C)O)C(C)O.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-].[Ru]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC(C(C)O)C(C)O.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-].[Ru]

InChI

InChI=1S/C16H36N.2C12H8N2O4.C6H14O2.Ru/c1-5-9-13-17(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;1-4(5(2)7)6(3)8;/h5-16H2,1-4H3;2*1-6H,(H,15,16)(H,17,18);4-8H,1-3H3;/q+1;;;;/p-2