iridium(3+); 7-methyl-2-(4-methylphenyl)-5H-benzotriazol-5-ide; pyridine-2-carboxylate

Systemtic Name: iridium(3+); 7-methyl-2-(4-methylphenyl)-5H-benzotriazol-5-ide; pyridine-2-carboxylate Openeye Name: iridium(3+); 7-methyl-2-(p-tolyl)-5H-benzotriazol-5-ide; pyridine-2-carboxylate CAS Name: iridium(3+); 7-methyl-2-(4-methylphenyl)-5H-benzotriazol-5-ide; 2-pyridinecarboxylate IUPAC Name: iridium(3+); 7-methyl-2-(4-methylphenyl)-5H-benzotriazol-5-ide; pyridine-2-carboxylate Traditional Name: iridium(3+); 7-methyl-2-(p-tolyl)-5H-benzotriazol-5-ide; picolinate Formula: C34H28IrN7O2 MolecularWeight: 758.84882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=[C-]C=C(C3=N2)C.CC1=CC=C(C=C1)N2N=C3C=[C-]C=C(C3=N2)C.C1=CC=NC(=C1)C(=O)[O-].[Ir+3]

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=[C-]C=C(C3=N2)C.CC1=CC=C(C=C1)N2N=C3C=[C-]C=C(C3=N2)C.C1=CC=NC(=C1)C(=O)[O-].[Ir+3]

InChI

InChI=1S/2C14H12N3.C6H5NO2.Ir/c2*1-10-6-8-12(9-7-10)17-15-13-5-3-4-11(2)14(13)16-17;8-6(9)5-3-1-2-4-7-5;/h2*4-9H,1-2H3;1-4H,(H,8,9);/q2*-1;;+3/p-1