iridium(3+); pentane-2,4-dione; 2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzotriazole

Systemtic Name: iridium(3+); pentane-2,4-dione; 2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzotriazole Openeye Name: iridium(3+); pentane-2,4-dione; 2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzotriazole CAS Name: iridium(3+); pentane-2,4-dione; 2-[4-(trifluoromethyl)-1-benzene-6-idyl]benzotriazole IUPAC Name: iridium(3+); pentane-2,4-dione; 2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzotriazole Traditional Name: iridium(3+); pentane-2,4-dione; 2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzotriazole Formula: C31H22F6IrN6O2+ MolecularWeight: 816.752799

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H7F3N3.C5H8O2.Ir/c2*14-13(15,16)9-5-7-10(8-6-9)19-17-11-3-1-2-4-12(11)18-19;1-4(6)3-5(2)7;/h2*1-7H;3H2,1-2H3;/q2*-1;;+3