iridium; (Z)-2-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenyl-ethenolate; 2-(4-methoxynaphthalen-1-yl)benzotriazole

Systemtic Name: iridium; (Z)-2-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenyl-ethenolate; 2-(4-methoxynaphthalen-1-yl)benzotriazole Openeye Name: iridium; (Z)-2-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenyl-ethenolate; 2-(4-methoxy-1-naphthyl)benzotriazole CAS Name: iridium; (Z)-2-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenylethenolate; 2-(4-methoxy-1-naphthalenyl)benzotriazole IUPAC Name: iridium; (Z)-2-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenylethenolate; 2-(4-methoxynaphthalen-1-yl)benzotriazole Traditional Name: iridium; (Z)-2-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenyl-ethenolate; 2-(4-methoxy-1-naphthyl)benzotriazole Formula: C50H38IrN7O4S- MolecularWeight: 1025.16322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C=C(C3=CC=CC=C3)[O-].COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.[Ir]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)/C=C(/C3=CC=CC=C3)\[O-].COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.[Ir]

InChI

InChI=1S/2C17H13N3O.C16H13NO2S.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;1-19-12-7-8-13-15(9-12)20-16(17-13)10-14(18)11-5-3-2-4-6-11;/h2*2-11H,1H3;2-10,18H,1H3;/p-1/b;;14-10-;