iridium; isoquinoline-1-carboxylate; 2-(4-methoxynaphthalen-1-yl)benzotriazole

Systemtic Name: iridium; isoquinoline-1-carboxylate; 2-(4-methoxynaphthalen-1-yl)benzotriazole Openeye Name: iridium; isoquinoline-1-carboxylate; 2-(4-methoxy-1-naphthyl)benzotriazole CAS Name: iridium; 1-isoquinolinecarboxylate; 2-(4-methoxy-1-naphthalenyl)benzotriazole IUPAC Name: iridium; isoquinoline-1-carboxylate; 2-(4-methoxynaphthalen-1-yl)benzotriazole Traditional Name: iridium; isoquinoline-1-carboxylate; 2-(4-methoxy-1-naphthyl)benzotriazole Formula: C44H32IrN7O4- MolecularWeight: 914.98638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.C1=CC=C2C(=C1)C=CN=C2C(=O)[O-].[Ir]

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.C1=CC=C2C(=C1)C=CN=C2C(=O)[O-].[Ir]

InChI

InChI=1S/2C17H13N3O.C10H7NO2.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;12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h2*2-11H,1H3;1-6H,(H,12,13);/p-1