2-(4-fluorophenyl)-5H-benzotriazol-5-ide; iridium(3+); 2-(methyliminomethyl)phenolate

Systemtic Name: 2-(4-fluorophenyl)-5H-benzotriazol-5-ide; iridium(3+); 2-(methyliminomethyl)phenolate Openeye Name: 2-(4-fluorophenyl)-5H-benzotriazol-5-ide; iridium(3+); 2-(methyliminomethyl)phenolate CAS Name: 2-(4-fluorophenyl)-5H-benzotriazol-5-ide; iridium(3+); 2-(methyliminomethyl)phenolate IUPAC Name: 2-(4-fluorophenyl)-5H-benzotriazol-5-ide; iridium(3+); 2-(methyliminomethyl)phenolate Traditional Name: 2-(4-fluorophenyl)-5H-benzotriazol-5-ide; iridium(3+); 2-(methyliminomethyl)phenolate Formula: C32H22F2IrN7O MolecularWeight: 750.777186

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Descriptors Computed from Structure

Canonical SMILES:

CN=CC1=CC=CC=C1[O-].C1=CC2=NN(N=C2C=[C-]1)C3=CC=C(C=C3)F.C1=CC2=NN(N=C2C=[C-]1)C3=CC=C(C=C3)F.[Ir+3]

Isomeric SMILES

CN=CC1=CC=CC=C1[O-].C1=CC2=NN(N=C2C=[C-]1)C3=CC=C(C=C3)F.C1=CC2=NN(N=C2C=[C-]1)C3=CC=C(C=C3)F.[Ir+3]

InChI

InChI=1S/2C12H7FN3.C8H9NO.Ir/c2*13-9-5-7-10(8-6-9)16-14-11-3-1-2-4-12(11)15-16;1-9-6-7-4-2-3-5-8(7)10;/h2*1,3-8H;2-6,10H,1H3;/q2*-1;;+3/p-1