iridium; 4-methyl-2-naphthalen-1-yl-benzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione

Systemtic Name: iridium; 4-methyl-2-naphthalen-1-yl-benzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione Openeye Name: iridium; 4-methyl-2-(1-naphthyl)benzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione CAS Name: iridium; 4-methyl-2-(1-naphthalenyl)benzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione IUPAC Name: iridium; 4-methyl-2-naphthalen-1-ylbenzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione Traditional Name: iridium; 4-methyl-2-(1-naphthyl)benzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione Formula: C45H46IrN6O2 MolecularWeight: 895.10274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NN(N=C12)C3=CC=CC4=CC=CC=C43.CC1=CC=CC2=NN(N=C12)C3=CC=CC4=CC=CC=C43.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Ir]

Isomeric SMILES

CC1=CC=CC2=NN(N=C12)C3=CC=CC4=CC=CC=C43.CC1=CC=CC2=NN(N=C12)C3=CC=CC4=CC=CC=C43.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Ir]

InChI

InChI=1S/2C17H13N3.C11H20O2.Ir/c2*1-12-6-4-10-15-17(12)19-20(18-15)16-11-5-8-13-7-2-3-9-14(13)16;1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*2-11H,1H3;7H2,1-6H3;