[4-(2-acetamido-3-oxidanylidene-butyl)-2,6-bis(iodanyl)phenyl] ethanoate

Systemtic Name: [4-(2-acetamido-3-oxidanylidene-butyl)-2,6-bis(iodanyl)phenyl] ethanoate Openeye Name: [4-(2-acetamido-3-oxo-butyl)-2,6-diiodo-phenyl] acetate CAS Name: acetic acid [4-(2-acetamido-3-oxobutyl)-2,6-diiodophenyl] ester IUPAC Name: [4-(2-acetamido-3-oxobutyl)-2,6-diiodophenyl] acetate Traditional Name: acetic acid [4-(2-acetamido-3-keto-butyl)-2,6-diiodo-phenyl] ester Formula: C14H15I2NO4 MolecularWeight: 515.08214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC(=C(C(=C1)I)OC(=O)C)I)NC(=O)C

Isomeric SMILES

CC(=O)C(CC1=CC(=C(C(=C1)I)OC(=O)C)I)NC(=O)C

InChI

InChI=1S/C14H15I2NO4/c1-7(18)13(17-8(2)19)6-10-4-11(15)14(12(16)5-10)21-9(3)20/h4-5,13H,6H2,1-3H3,(H,17,19)