iridium(3+); 2-(4-methoxyphenyl)-5H-benzotriazol-5-ide

Systemtic Name: iridium(3+); 2-(4-methoxyphenyl)-5H-benzotriazol-5-ide Openeye Name: iridium(3+); 2-(4-methoxyphenyl)-5H-benzotriazol-5-ide CAS Name: iridium(3+); 2-(4-methoxyphenyl)-5H-benzotriazol-5-ide IUPAC Name: iridium(3+); 2-(4-methoxyphenyl)-5H-benzotriazol-5-ide Traditional Name: iridium(3+); 2-(4-methoxyphenyl)-5H-benzotriazol-5-ide Formula: C39H30IrN9O3 MolecularWeight: 864.931

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.COC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.COC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.[Ir+3]

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.COC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.COC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.[Ir+3]

InChI

InChI=1S/3C13H10N3O.Ir/c3*1-17-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)15-16;/h3*2,4-9H,1H3;/q3*-1;+3