methyl 3-[3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]carbonyl-1-benzofuran-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]carbonyl-1-benzofuran-2-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[3-(4-hydroxy-3,5-diiodo-benzoyl)benzofuran-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-[(4-hydroxy-3,5-diiodophenyl)-oxomethyl]-2-benzofuranyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-hydroxy-3,5-diiodobenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(4-hydroxy-3,5-diiodo-benzoyl)benzofuran-2-yl]-2,2-dimethyl-propionic acid methyl ester Formula: C21H18I2O5 MolecularWeight: 604.17356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I)C(=O)OC

Isomeric SMILES

CC(C)(CC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I)C(=O)OC

InChI

InChI=1S/C21H18I2O5/c1-21(2,20(26)27-3)10-16-17(12-6-4-5-7-15(12)28-16)18(24)11-8-13(22)19(25)14(23)9-11/h4-9,25H,10H2,1-3H3