ethyl 2-acetamido-3-[3,5-bis(iodanyl)-4-methylsulfonyloxy-phenyl]propanoate

Systemtic Name: ethyl 2-acetamido-3-[3,5-bis(iodanyl)-4-methylsulfonyloxy-phenyl]propanoate Openeye Name: ethyl 2-acetamido-3-(3,5-diiodo-4-methylsulfonyloxy-phenyl)propanoate CAS Name: 2-acetamido-3-(3,5-diiodo-4-methylsulfonyloxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(3,5-diiodo-4-methylsulfonyloxyphenyl)propanoate Traditional Name: 2-acetamido-3-(3,5-diiodo-4-methylsulfonyloxy-phenyl)propionic acid ethyl ester Formula: C14H17I2NO6S MolecularWeight: 581.16182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)I)OS(=O)(=O)C)I)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=C1)I)OS(=O)(=O)C)I)NC(=O)C

InChI

InChI=1S/C14H17I2NO6S/c1-4-22-14(19)12(17-8(2)18)7-9-5-10(15)13(11(16)6-9)23-24(3,20)21/h5-6,12H,4,7H2,1-3H3,(H,17,18)