iridium(3+); 2-phenyl-5H-benzotriazol-5-ide; pyridine-2-carboxylate

Systemtic Name: iridium(3+); 2-phenyl-5H-benzotriazol-5-ide; pyridine-2-carboxylate Openeye Name: iridium(3+); 2-phenyl-5H-benzotriazol-5-ide; pyridine-2-carboxylate CAS Name: iridium(3+); 2-phenyl-5H-benzotriazol-5-ide; 2-pyridinecarboxylate IUPAC Name: iridium(3+); 2-phenyl-5H-benzotriazol-5-ide; pyridine-2-carboxylate Traditional Name: iridium(3+); 2-phenyl-5H-benzotriazol-5-ide; picolinate Formula: C30H20IrN7O2 MolecularWeight: 702.7425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H8N3.C6H5NO2.Ir/c2*1-2-6-10(7-3-1)15-13-11-8-4-5-9-12(11)14-15;8-6(9)5-3-1-2-4-7-5;/h2*1-4,6-9H;1-4H,(H,8,9);/q2*-1;;+3/p-1