2-(benzotriazol-2-yl)-4-tert-butyl-phenolate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole

Systemtic Name: 2-(benzotriazol-2-yl)-4-tert-butyl-phenolate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole Openeye Name: 2-(benzotriazol-2-yl)-4-tert-butyl-phenolate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole CAS Name: 2-(2-benzotriazolyl)-4-tert-butylphenolate; iridium; 2-(4-methoxy-1-naphthalenyl)benzotriazole IUPAC Name: 2-(benzotriazol-2-yl)-4-tert-butylphenolate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole Traditional Name: 2-(benzotriazol-2-yl)-4-tert-butyl-phenolate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole Formula: C50H42IrN9O3- MolecularWeight: 1009.14398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)[O-])N2N=C3C=CC=CC3=N2.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.[Ir]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)[O-])N2N=C3C=CC=CC3=N2.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.[Ir]

InChI

InChI=1S/2C17H13N3O.C16H17N3O.Ir/c2*1-21-17-11-10-16(12-6-2-3-7-13(12)17)20-18-14-8-4-5-9-15(14)19-20;1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18-19;/h2*2-11H,1H3;4-10,20H,1-3H3;/p-1