1-[2,4-bis(fluoranyl)phenyl]-4H-pyrazol-4-ide; iridium(3+)

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-4H-pyrazol-4-ide; iridium(3+) Openeye Name: 1-(2,4-difluorophenyl)-4H-pyrazol-4-ide; iridium(3+) CAS Name: 1-(2,4-difluorophenyl)-4H-pyrazol-4-ide; iridium(3+) IUPAC Name: 1-(2,4-difluorophenyl)-4H-pyrazol-4-ide; iridium(3+) Traditional Name: 1-(2,4-difluorophenyl)-4H-pyrazol-4-ide; iridium(3+) Formula: C27H15F6IrN6 MolecularWeight: 729.655619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)N2C=[C-]C=N2.C1=CC(=C(C=C1F)F)N2C=[C-]C=N2.C1=CC(=C(C=C1F)F)N2C=[C-]C=N2.[Ir+3]

Isomeric SMILES

C1=CC(=C(C=C1F)F)N2C=[C-]C=N2.C1=CC(=C(C=C1F)F)N2C=[C-]C=N2.C1=CC(=C(C=C1F)F)N2C=[C-]C=N2.[Ir+3]

InChI

InChI=1S/3C9H5F2N2.Ir/c3*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;/h3*2-6H;/q3*-1;+3