iridium(3+); 2-phenylpyridine; 4-(2-sulfonatooxyethoxymethyl)pyridine-2-carboxylate; tetrabutylazanium

Systemtic Name: iridium(3+); 2-phenylpyridine; 4-(2-sulfonatooxyethoxymethyl)pyridine-2-carboxylate; tetrabutylazanium Openeye Name: iridium(3+); 2-phenylpyridine; 4-(2-sulfonatooxyethoxymethyl)pyridine-2-carboxylate; tetrabutylammonium CAS Name: iridium(3+); 2-phenylpyridine; 4-(2-sulfonatooxyethoxymethyl)-2-pyridinecarboxylate; tetrabutylammonium IUPAC Name: iridium(3+); 2-phenylpyridine; 4-(2-sulfonatooxyethoxymethyl)pyridine-2-carboxylate; tetrabutylazanium Traditional Name: iridium(3+); 2-phenylpyridine; 4-(2-sulfatoethoxymethyl)picolinate; tetrabutylammonium Formula: C47H61IrN4O7S MolecularWeight: 1018.29184

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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=CN=C(C=C1COCCOS(=O)(=O)[O-])C(=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=CN=C(C=C1COCCOS(=O)(=O)[O-])C(=O)[O-].[Ir+3]

InChI

InChI=1S/C16H36N.2C11H8N.C9H11NO7S.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;11-9(12)8-5-7(1-2-10-8)6-16-3-4-17-18(13,14)15;/h5-16H2,1-4H3;2*1-6,8-9H;1-2,5H,3-4,6H2,(H,11,12)(H,13,14,15);/q+1;2*-1;;+3/p-2