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

Systemtic Name: iridium(3+); 2-(4-methylphenyl)-5H-benzotriazol-5-ide Openeye Name: iridium(3+); 2-(p-tolyl)-5H-benzotriazol-5-ide CAS Name: iridium(3+); 2-(4-methylphenyl)-5H-benzotriazol-5-ide IUPAC Name: iridium(3+); 2-(4-methylphenyl)-5H-benzotriazol-5-ide Traditional Name: iridium(3+); 2-(p-tolyl)-5H-benzotriazol-5-ide Formula: C39H30IrN9 MolecularWeight: 816.9328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.CC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.CC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.[Ir+3]

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.CC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.CC1=CC=C(C=C1)N2N=C3C=C[C-]=CC3=N2.[Ir+3]

InChI

InChI=1S/3C13H10N3.Ir/c3*1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)15-16;/h3*2,4-9H,1H3;/q3*-1;+3