iridium; 2-(4-propan-2-yloxynaphthalen-1-yl)benzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione

Systemtic Name: iridium; 2-(4-propan-2-yloxynaphthalen-1-yl)benzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione Openeye Name: iridium; 2-(4-isopropoxy-1-naphthyl)benzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione CAS Name: iridium; 2-(4-propan-2-yloxy-1-naphthalenyl)benzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione IUPAC Name: iridium; 2-(4-propan-2-yloxynaphthalen-1-yl)benzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione Traditional Name: iridium; 2-(4-isopropoxy-1-naphthyl)benzotriazole; 2,2,6,6-tetramethylheptane-3,5-dione Formula: C49H54IrN6O4 MolecularWeight: 983.20786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Ir]

Isomeric SMILES

CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Ir]

InChI

InChI=1S/2C19H17N3O.C11H20O2.Ir/c2*1-13(2)23-19-12-11-18(14-7-3-4-8-15(14)19)22-20-16-9-5-6-10-17(16)21-22;1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*3-13H,1-2H3;7H2,1-6H3;