iridium(3+); 6-phenyl-3H-pyridin-3-ide; 4-(sulfonatooxymethyl)pyridine-2-carboxylate; tetrabutylazanium

Systemtic Name: iridium(3+); 6-phenyl-3H-pyridin-3-ide; 4-(sulfonatooxymethyl)pyridine-2-carboxylate; tetrabutylazanium Openeye Name: iridium(3+); 6-phenyl-3H-pyridin-3-ide; 4-(sulfonatooxymethyl)pyridine-2-carboxylate; tetrabutylammonium CAS Name: iridium(3+); 6-phenyl-3H-pyridin-3-ide; 4-(sulfonatooxymethyl)-2-pyridinecarboxylate; tetrabutylammonium IUPAC Name: iridium(3+); 6-phenyl-3H-pyridin-3-ide; 4-(sulfonatooxymethyl)pyridine-2-carboxylate; tetrabutylazanium Traditional Name: iridium(3+); 6-phenyl-3H-pyridin-3-ide; 4-(sulfatomethyl)picolinate; tetrabutylammonium Formula: C45H57IrN4O6S MolecularWeight: 974.23928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CN=C(C=C1COS(=O)(=O)[O-])C(=O)[O-].[Ir+3]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CC=C(C=C1)C2=CC=[C-]C=N2.C1=CN=C(C=C1COS(=O)(=O)[O-])C(=O)[O-].[Ir+3]

InChI

InChI=1S/C16H36N.2C11H8N.C7H7NO6S.Ir/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;9-7(10)6-3-5(1-2-8-6)4-14-15(11,12)13;/h5-16H2,1-4H3;2*1-4,6-9H;1-3H,4H2,(H,9,10)(H,11,12,13);/q+1;2*-1;;+3/p-2