2-(benzimidazol-1-id-2-yl)-1-methyl-benzimidazole; iridium; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: 2-(benzimidazol-1-id-2-yl)-1-methyl-benzimidazole; iridium; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: 2-(benzimidazol-1-id-2-yl)-1-methyl-benzimidazole; (Z)-4-hydroxypent-3-en-2-one; iridium CAS Name: 2-(2-benzimidazol-1-idyl)-1-methylbenzimidazole; (Z)-4-hydroxy-3-penten-2-one; iridium IUPAC Name: 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole; (Z)-4-hydroxypent-3-en-2-one; iridium Traditional Name: 2-(benzimidazol-1-id-2-yl)-1-methyl-benzimidazole; (Z)-4-hydroxypent-3-en-2-one; iridium Formula: C20H19IrN4O2- MolecularWeight: 539.60746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.CN1C2=CC=CC=C2N=C1C3=NC4=CC=CC=C4[N-]3.[Ir]

Isomeric SMILES

C/C(=C/C(=O)C)/O.CN1C2=CC=CC=C2N=C1C3=NC4=CC=CC=C4[N-]3.[Ir]

InChI

InChI=1S/C15H11N4.C5H8O2.Ir/c1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-4(6)3-5(2)7;/h2-9H,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;