2-(3,5-dimethylbenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione

Systemtic Name: 2-(3,5-dimethylbenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione Openeye Name: 2-(3,5-dimethylbenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione CAS Name: 2-(3,5-dimethyl-1-benzene-6-idyl)benzotriazole; iridium(3+); pentane-2,4-dione IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione Traditional Name: 2-(3,5-dimethylbenzene-6-id-1-yl)benzotriazole; iridium(3+); pentane-2,4-dione Formula: C33H32IrN6O2+ MolecularWeight: 736.86318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H12N3.C5H8O2.Ir/c2*1-10-7-11(2)9-12(8-10)17-15-13-5-3-4-6-14(13)16-17;1-4(6)3-5(2)7;/h2*3-8H,1-2H3;3H2,1-2H3;/q2*-1;;+3