iridium(3+); 2-phenylpyridine; 3-(6-sulfonatooxyhexoxy)pyridine-2-carboxylate; tetrabutylazanium

Systemtic Name: iridium(3+); 2-phenylpyridine; 3-(6-sulfonatooxyhexoxy)pyridine-2-carboxylate; tetrabutylazanium Openeye Name: iridium(3+); 2-phenylpyridine; 3-(6-sulfonatooxyhexoxy)pyridine-2-carboxylate; tetrabutylammonium CAS Name: iridium(3+); 2-phenylpyridine; 3-(6-sulfonatooxyhexoxy)-2-pyridinecarboxylate; tetrabutylammonium IUPAC Name: iridium(3+); 2-phenylpyridine; 3-(6-sulfonatooxyhexoxy)pyridine-2-carboxylate; tetrabutylazanium Traditional Name: iridium(3+); 2-phenylpyridine; 3-(6-sulfatohexoxy)picolinate; tetrabutylammonium Formula: C50H67IrN4O7S MolecularWeight: 1060.37158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C12H17NO7S.2C11H8N.Ir/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;14-12(15)11-10(6-5-7-13-11)19-8-3-1-2-4-9-20-21(16,17)18;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-16H2,1-4H3;5-7H,1-4,8-9H2,(H,14,15)(H,16,17,18);2*1-6,8-9H;/q+1;;2*-1;+3/p-2