2-(4-fluoranylbenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione

Systemtic Name: 2-(4-fluoranylbenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione Openeye Name: 2-(4-fluorobenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione CAS Name: 2-(4-fluoro-1-benzene-6-idyl)benzotriazole; iridium(3+); pentane-2,4-dione IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione Traditional Name: 2-(4-fluorobenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione Formula: C29H22F2IrN6O2+ MolecularWeight: 716.737786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H7FN3.C5H8O2.Ir/c2*13-9-5-7-10(8-6-9)16-14-11-3-1-2-4-12(11)15-16;1-4(6)3-5(2)7;/h2*1-7H;3H2,1-2H3;/q2*-1;;+3