(Z)-2,6-dimethyl-5-oxidanyl-hept-4-en-3-one; iridium; 1-phenylindazole

Systemtic Name: (Z)-2,6-dimethyl-5-oxidanyl-hept-4-en-3-one; iridium; 1-phenylindazole Openeye Name: (Z)-5-hydroxy-2,6-dimethyl-hept-4-en-3-one; iridium; 1-phenylindazole CAS Name: (Z)-5-hydroxy-2,6-dimethyl-4-hepten-3-one; iridium; 1-phenylindazole IUPAC Name: (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one; iridium; 1-phenylindazole Traditional Name: (Z)-5-hydroxy-2,6-dimethyl-hept-4-en-3-one; iridium; 1-phenylindazole Formula: C22H25IrN2O2- MolecularWeight: 541.6631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=CC(=O)C(C)C)O.C1=CC=C([C-]=C1)N2C3=CC=CC=C3C=N2.[Ir]

Isomeric SMILES

CC(C)/C(=C/C(=O)C(C)C)/O.C1=CC=C([C-]=C1)N2C3=CC=CC=C3C=N2.[Ir]

InChI

InChI=1S/C13H9N2.C9H16O2.Ir/c1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14-15;1-6(2)8(10)5-9(11)7(3)4;/h1-7,9-10H;5-7,10H,1-4H3;/q-1;;/b;8-5-;