2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-[4-(2-methylpropoxy)naphthalen-1-yl]benzotriazole

Systemtic Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-[4-(2-methylpropoxy)naphthalen-1-yl]benzotriazole Openeye Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-(4-isobutoxy-1-naphthyl)benzotriazole CAS Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-[4-(2-methylpropoxy)-1-naphthalenyl]benzotriazole IUPAC Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-[4-(2-methylpropoxy)naphthalen-1-yl]benzotriazole Traditional Name: 2-(1,3-benzoxazol-2-yl)phenolate; iridium; 2-(4-isobutoxy-1-naphthyl)benzotriazole Formula: C53H46IrN7O4- MolecularWeight: 1037.19384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CC(C)COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)[O-].[Ir]

Isomeric SMILES

CC(C)COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CC(C)COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)[O-].[Ir]

InChI

InChI=1S/2C20H19N3O.C13H9NO2.Ir/c2*1-14(2)13-24-20-12-11-19(15-7-3-4-8-16(15)20)23-21-17-9-5-6-10-18(17)22-23;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*3-12,14H,13H2,1-2H3;1-8,15H;/p-1