(1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl 4-(diethanoyl-$l^{3}-iodanyl)benzoate

Systemtic Name: (1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl 4-(diethanoyl-$l^{3}-iodanyl)benzoate Openeye Name: (1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl 4-(diacetyl-$l^{3}-iodanyl)benzoate CAS Name: 4-(diacetyl-$l^{3}-iodanyl)benzoic acid (1-butyl-3-methyl-4-imidazol-1-iumyl)methyl ester IUPAC Name: (1-butyl-3-methylimidazol-1-ium-4-yl)methyl 4-(diacetyl-$l^{3}-iodanyl)benzoate Traditional Name: 4-diacetyliodinanylbenzoic acid (1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl ester Formula: C20H26IN2O4+ MolecularWeight: 485.33591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C(=C1)COC(=O)C2=CC=C(C=C2)I(C(=O)C)C(=O)C)C

Isomeric SMILES

CCCC[N+]1=CN(C(=C1)COC(=O)C2=CC=C(C=C2)I(C(=O)C)C(=O)C)C

InChI

InChI=1S/C20H26IN2O4/c1-5-6-11-23-12-19(22(4)14-23)13-27-20(26)17-7-9-18(10-8-17)21(15(2)24)16(3)25/h7-10,12,14H,5-6,11,13H2,1-4H3/q+1