iridium(3+); 2-(methyliminomethyl)phenolate; 2-phenyl-5H-benzotriazol-5-ide

Systemtic Name: iridium(3+); 2-(methyliminomethyl)phenolate; 2-phenyl-5H-benzotriazol-5-ide Openeye Name: iridium(3+); 2-(methyliminomethyl)phenolate; 2-phenyl-5H-benzotriazol-5-ide CAS Name: iridium(3+); 2-(methyliminomethyl)phenolate; 2-phenyl-5H-benzotriazol-5-ide IUPAC Name: iridium(3+); 2-(methyliminomethyl)phenolate; 2-phenyl-5H-benzotriazol-5-ide Traditional Name: iridium(3+); 2-(methyliminomethyl)phenolate; 2-phenyl-5H-benzotriazol-5-ide Formula: C32H24IrN7O MolecularWeight: 714.79626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H8N3.C8H9NO.Ir/c2*1-2-6-10(7-3-1)15-13-11-8-4-5-9-12(11)14-15;1-9-6-7-4-2-3-5-8(7)10;/h2*1-4,6-9H;2-6,10H,1H3;/q2*-1;;+3/p-1