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

Systemtic Name: iridium; (Z)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenecarboximidate; 2-(4-methoxynaphthalen-1-yl)benzotriazole Openeye Name: iridium; (Z)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenecarboximidate; 2-(4-methoxy-1-naphthyl)benzotriazole CAS Name: iridium; (Z)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenecarboximidate; 2-(4-methoxy-1-naphthalenyl)benzotriazole IUPAC Name: iridium; (Z)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenecarboximidate; 2-(4-methoxynaphthalen-1-yl)benzotriazole Traditional Name: iridium; (Z)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenecarboximidate; 2-(4-methoxy-1-naphthyl)benzotriazole Formula: C49H37IrN8O4S- MolecularWeight: 1026.15128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N=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)/N=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.C15H12N2O2S.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;1-19-11-7-8-12-13(9-11)20-15(16-12)17-14(18)10-5-3-2-4-6-10;/h2*2-11H,1H3;2-9H,1H3,(H,16,17,18);/p-1