2-(1,3-benzothiazol-2-yl)phenolate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole

Systemtic Name: 2-(1,3-benzothiazol-2-yl)phenolate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole Openeye Name: 2-(1,3-benzothiazol-2-yl)phenolate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole CAS Name: 2-(1,3-benzothiazol-2-yl)phenolate; iridium; 2-(4-methoxy-1-naphthalenyl)benzotriazole IUPAC Name: 2-(1,3-benzothiazol-2-yl)phenolate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole Traditional Name: 2-(1,3-benzothiazol-2-yl)phenolate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole Formula: C47H34IrN7O3S- MolecularWeight: 969.09996

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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=C(C(=C1)C2=NC3=CC=CC=C3S2)[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=C(C(=C1)C2=NC3=CC=CC=C3S2)[O-].[Ir]

InChI

InChI=1S/2C17H13N3O.C13H9NOS.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;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*2-11H,1H3;1-8,15H;/p-1