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

Systemtic Name: iridium(3+); 2-[4-(trifluoromethyl)phenyl]-5H-benzotriazol-5-ide Openeye Name: iridium(3+); 2-[4-(trifluoromethyl)phenyl]-5H-benzotriazol-5-ide CAS Name: iridium(3+); 2-[4-(trifluoromethyl)phenyl]-5H-benzotriazol-5-ide IUPAC Name: iridium(3+); 2-[4-(trifluoromethyl)phenyl]-5H-benzotriazol-5-ide Traditional Name: iridium(3+); 2-[4-(trifluoromethyl)phenyl]-5H-benzotriazol-5-ide Formula: C39H21F9IrN9 MolecularWeight: 978.846969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C13H7F3N3.Ir/c3*14-13(15,16)9-5-7-10(8-6-9)19-17-11-3-1-2-4-12(11)18-19;/h3*1,3-8H;/q3*-1;+3