2-[2,5-bis(fluoranyl)phenyl]-5H-benzotriazol-5-ide; iridium(3+)

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]-5H-benzotriazol-5-ide; iridium(3+) Openeye Name: 2-(2,5-difluorophenyl)-5H-benzotriazol-5-ide; iridium(3+) CAS Name: 2-(2,5-difluorophenyl)-5H-benzotriazol-5-ide; iridium(3+) IUPAC Name: 2-(2,5-difluorophenyl)-5H-benzotriazol-5-ide; iridium(3+) Traditional Name: 2-(2,5-difluorophenyl)-5H-benzotriazol-5-ide; iridium(3+) Formula: C36H18F6IrN9 MolecularWeight: 882.795839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C12H6F2N3.Ir/c3*13-8-5-6-9(14)12(7-8)17-15-10-3-1-2-4-11(10)16-17;/h3*1,3-7H;/q3*-1;+3