2-(1,3-benzoxazol-2-yl)phenolate; 2-(4-ethoxynaphthalen-1-yl)benzotriazole; iridium

Systemtic Name: 2-(1,3-benzoxazol-2-yl)phenolate; 2-(4-ethoxynaphthalen-1-yl)benzotriazole; iridium Openeye Name: 2-(1,3-benzoxazol-2-yl)phenolate; 2-(4-ethoxy-1-naphthyl)benzotriazole; iridium CAS Name: 2-(1,3-benzoxazol-2-yl)phenolate; 2-(4-ethoxy-1-naphthalenyl)benzotriazole; iridium IUPAC Name: 2-(1,3-benzoxazol-2-yl)phenolate; 2-(4-ethoxynaphthalen-1-yl)benzotriazole; iridium Traditional Name: 2-(1,3-benzoxazol-2-yl)phenolate; 2-(4-ethoxy-1-naphthyl)benzotriazole; iridium Formula: C49H38IrN7O4- MolecularWeight: 981.08752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CCOC1=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

CCOC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.CCOC1=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/2C18H15N3O.C13H9NO2.Ir/c2*1-2-22-18-12-11-17(13-7-3-4-8-14(13)18)21-19-15-9-5-6-10-16(15)20-21;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*3-12H,2H2,1H3;1-8,15H;/p-1