1-(benzotriazol-2-yl)naphthalen-2-olate; iridium; 2-naphthalen-1-ylbenzotriazole

Systemtic Name: 1-(benzotriazol-2-yl)naphthalen-2-olate; iridium; 2-naphthalen-1-ylbenzotriazole Openeye Name: 1-(benzotriazol-2-yl)naphthalen-2-olate; iridium; 2-(1-naphthyl)benzotriazole CAS Name: 1-(2-benzotriazolyl)-2-naphthalenolate; iridium; 2-(1-naphthalenyl)benzotriazole IUPAC Name: 1-(benzotriazol-2-yl)naphthalen-2-olate; iridium; 2-naphthalen-1-ylbenzotriazole Traditional Name: 1-(benzotriazol-2-yl)naphthalen-2-olate; iridium; 2-(1-naphthyl)benzotriazole Formula: C48H32IrN9O- MolecularWeight: 943.04438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=CC4=N3.C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=CC4=N3.C1=CC=C2C(=C1)C=CC(=C2N3N=C4C=CC=CC4=N3)[O-].[Ir]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=CC4=N3.C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=CC4=N3.C1=CC=C2C(=C1)C=CC(=C2N3N=C4C=CC=CC4=N3)[O-].[Ir]

InChI

InChI=1S/C16H11N3O.2C16H11N3.Ir/c20-15-10-9-11-5-1-2-6-12(11)16(15)19-17-13-7-3-4-8-14(13)18-19;2*1-2-8-13-12(6-1)7-5-11-16(13)19-17-14-9-3-4-10-15(14)18-19;/h1-10,20H;2*1-11H;/p-1