iridium(3+); pyridine-2-carboxylate; 7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-5H-benzotriazol-5-ide

Systemtic Name: iridium(3+); pyridine-2-carboxylate; 7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-5H-benzotriazol-5-ide Openeye Name: iridium(3+); pyridine-2-carboxylate; 7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-5H-benzotriazol-5-ide CAS Name: iridium(3+); 2-pyridinecarboxylate; 7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-5H-benzotriazol-5-ide IUPAC Name: iridium(3+); pyridine-2-carboxylate; 7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-5H-benzotriazol-5-ide Traditional Name: iridium(3+); picolinate; 7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-5H-benzotriazol-5-ide Formula: C34H16F12IrN7O2 MolecularWeight: 974.734378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=O)[O-].C1=CC(=CC=C1C(F)(F)F)N2N=C3C=[C-]C=C(C3=N2)C(F)(F)F.C1=CC(=CC=C1C(F)(F)F)N2N=C3C=[C-]C=C(C3=N2)C(F)(F)F.[Ir+3]

Isomeric SMILES

C1=CC=NC(=C1)C(=O)[O-].C1=CC(=CC=C1C(F)(F)F)N2N=C3C=[C-]C=C(C3=N2)C(F)(F)F.C1=CC(=CC=C1C(F)(F)F)N2N=C3C=[C-]C=C(C3=N2)C(F)(F)F.[Ir+3]

InChI

InChI=1S/2C14H6F6N3.C6H5NO2.Ir/c2*15-13(16,17)8-4-6-9(7-5-8)23-21-11-3-1-2-10(12(11)22-23)14(18,19)20;8-6(9)5-3-1-2-4-7-5;/h2*2-7H;1-4H,(H,8,9);/q2*-1;;+3/p-1