iridium(3+); pyridine-2-carboxylate; 2-(2,3,4-trimethylphenyl)-5H-benzotriazol-5-ide

Systemtic Name: iridium(3+); pyridine-2-carboxylate; 2-(2,3,4-trimethylphenyl)-5H-benzotriazol-5-ide Openeye Name: iridium(3+); pyridine-2-carboxylate; 2-(2,3,4-trimethylphenyl)-5H-benzotriazol-5-ide CAS Name: iridium(3+); 2-pyridinecarboxylate; 2-(2,3,4-trimethylphenyl)-5H-benzotriazol-5-ide IUPAC Name: iridium(3+); pyridine-2-carboxylate; 2-(2,3,4-trimethylphenyl)-5H-benzotriazol-5-ide Traditional Name: iridium(3+); picolinate; 2-(2,3,4-trimethylphenyl)-5H-benzotriazol-5-ide Formula: C36H32IrN7O2 MolecularWeight: 786.90198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H14N3.C6H5NO2.Ir/c2*1-10-8-9-15(12(3)11(10)2)18-16-13-6-4-5-7-14(13)17-18;8-6(9)5-3-1-2-4-7-5;/h2*4,6-9H,1-3H3;1-4H,(H,8,9);/q2*-1;;+3/p-1