ethyl 3-acetamido-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoate

Systemtic Name: ethyl 3-acetamido-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoate Openeye Name: ethyl 3-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoate CAS Name: 3-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoate Traditional Name: 3-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propionic acid ethyl ester Formula: C13H15I2NO4 MolecularWeight: 503.07144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=C(C(=C1)I)O)I)NC(=O)C

Isomeric SMILES

CCOC(=O)CC(C1=CC(=C(C(=C1)I)O)I)NC(=O)C

InChI

InChI=1S/C13H15I2NO4/c1-3-20-12(18)6-11(16-7(2)17)8-4-9(14)13(19)10(15)5-8/h4-5,11,19H,3,6H2,1-2H3,(H,16,17)