iridium(3+); 2-(3-methylbenzene-5-id-1-yl)benzotriazole; pyridine-2-carboxylate

Systemtic Name: iridium(3+); 2-(3-methylbenzene-5-id-1-yl)benzotriazole; pyridine-2-carboxylate Openeye Name: iridium(3+); 2-(3-methylbenzene-5-id-1-yl)benzotriazole; pyridine-2-carboxylate CAS Name: iridium(3+); 2-(3-methyl-1-benzene-5-idyl)benzotriazole; 2-pyridinecarboxylate IUPAC Name: iridium(3+); 2-(3-methylbenzene-5-id-1-yl)benzotriazole; pyridine-2-carboxylate Traditional Name: iridium(3+); 2-(3-methylbenzene-5-id-1-yl)benzotriazole; picolinate Formula: C32H24IrN7O2 MolecularWeight: 730.79566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[C-]=C1)N2N=C3C=CC=CC3=N2.CC1=CC(=C[C-]=C1)N2N=C3C=CC=CC3=N2.C1=CC=NC(=C1)C(=O)[O-].[Ir+3]

Isomeric SMILES

CC1=CC(=C[C-]=C1)N2N=C3C=CC=CC3=N2.CC1=CC(=C[C-]=C1)N2N=C3C=CC=CC3=N2.C1=CC=NC(=C1)C(=O)[O-].[Ir+3]

InChI

InChI=1S/2C13H10N3.C6H5NO2.Ir/c2*1-10-5-4-6-11(9-10)16-14-12-7-2-3-8-13(12)15-16;8-6(9)5-3-1-2-4-7-5;/h2*2-3,5-9H,1H3;1-4H,(H,8,9);/q2*-1;;+3/p-1