iridium(3+); pyridine-2-carboxylate; 2-[3-(trifluoromethyl)benzene-5-id-1-yl]benzotriazole

Systemtic Name: iridium(3+); pyridine-2-carboxylate; 2-[3-(trifluoromethyl)benzene-5-id-1-yl]benzotriazole Openeye Name: iridium(3+); pyridine-2-carboxylate; 2-[3-(trifluoromethyl)benzene-5-id-1-yl]benzotriazole CAS Name: iridium(3+); 2-pyridinecarboxylate; 2-[3-(trifluoromethyl)-1-benzene-5-idyl]benzotriazole IUPAC Name: iridium(3+); pyridine-2-carboxylate; 2-[3-(trifluoromethyl)benzene-5-id-1-yl]benzotriazole Traditional Name: iridium(3+); picolinate; 2-[3-(trifluoromethyl)benzene-5-id-1-yl]benzotriazole Formula: C32H18F6IrN7O2 MolecularWeight: 838.738439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=O)[O-].C1=CC2=NN(N=C2C=C1)C3=C[C-]=CC(=C3)C(F)(F)F.C1=CC2=NN(N=C2C=C1)C3=C[C-]=CC(=C3)C(F)(F)F.[Ir+3]

Isomeric SMILES

C1=CC=NC(=C1)C(=O)[O-].C1=CC2=NN(N=C2C=C1)C3=C[C-]=CC(=C3)C(F)(F)F.C1=CC2=NN(N=C2C=C1)C3=C[C-]=CC(=C3)C(F)(F)F.[Ir+3]

InChI

InChI=1S/2C13H7F3N3.C6H5NO2.Ir/c2*14-13(15,16)9-4-3-5-10(8-9)19-17-11-6-1-2-7-12(11)18-19;8-6(9)5-3-1-2-4-7-5;/h2*1-2,4-8H;1-4H,(H,8,9);/q2*-1;;+3/p-1