copper; 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; oxygen(2-); tetrabutylazanium; titanium(4+)

Systemtic Name: copper; 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; oxygen(2-); tetrabutylazanium; titanium(4+) Openeye Name: copper; 2-(4-carboxylato-2-pyridyl)pyridine-4-carboxylate; oxygen(2-); tetrabutylammonium; titanium(4+) CAS Name: copper; 2-(4-carboxylato-2-pyridinyl)-4-pyridinecarboxylate; oxygen(2-); tetrabutylammonium; titanium(4+) IUPAC Name: copper; 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; oxygen(2-); tetrabutylazanium; titanium(4+) Traditional Name: cupric; 2-(4-carboxylato-2-pyridyl)isonicotinate; oxygen(2-); tetrabutylammonium; titanium(4+) Formula: C56H84CuN6O10Ti MolecularWeight: 1112.71336

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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-].[O-2].[O-2].[Ti+4].[Cu+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-].[O-2].[O-2].[Ti+4].[Cu+2]

InChI

InChI=1S/2C16H36N.2C12H8N2O4.Cu.2O.Ti/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;;;;/h2*5-16H2,1-4H3;2*1-6H,(H,15,16)(H,17,18);;;;/q2*+1;;;+2;2*-2;+4/p-4