methyl 3-iodanyl-4-(trifluoromethyloxy)benzoate

Systemtic Name: methyl 3-iodanyl-4-(trifluoromethyloxy)benzoate Openeye Name: methyl 3-iodo-4-(trifluoromethoxy)benzoate CAS Name: 3-iodo-4-(trifluoromethoxy)benzoic acid methyl ester IUPAC Name: methyl 3-iodo-4-(trifluoromethoxy)benzoate Traditional Name: 3-iodo-4-(trifluoromethoxy)benzoic acid methyl ester Formula: C9H6F3IO3 MolecularWeight: 346.04182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OC(F)(F)F)I

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OC(F)(F)F)I

InChI

InChI=1S/C9H6F3IO3/c1-15-8(14)5-2-3-7(6(13)4-5)16-9(10,11)12/h2-4H,1H3