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

Systemtic Name: iridium(3+); 2-(4-methylbenzene-6-id-1-yl)benzotriazole; pentane-2,4-dione Openeye Name: iridium(3+); 2-(4-methylbenzene-6-id-1-yl)benzotriazole; pentane-2,4-dione CAS Name: iridium(3+); 2-(4-methyl-1-benzene-6-idyl)benzotriazole; pentane-2,4-dione IUPAC Name: iridium(3+); 2-(4-methylbenzene-6-id-1-yl)benzotriazole; pentane-2,4-dione Traditional Name: iridium(3+); 2-(4-methylbenzene-6-id-1-yl)benzotriazole; pentane-2,4-dione Formula: C31H28IrN6O2+ MolecularWeight: 708.81002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C([C-]=C1)N2N=C3C=CC=CC3=N2.CC1=CC=C([C-]=C1)N2N=C3C=CC=CC3=N2.CC(=O)CC(=O)C.[Ir+3]

Isomeric SMILES

CC1=CC=C([C-]=C1)N2N=C3C=CC=CC3=N2.CC1=CC=C([C-]=C1)N2N=C3C=CC=CC3=N2.CC(=O)CC(=O)C.[Ir+3]

InChI

InChI=1S/2C13H10N3.C5H8O2.Ir/c2*1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)15-16;1-4(6)3-5(2)7;/h2*2-8H,1H3;3H2,1-2H3;/q2*-1;;+3