(4-ethoxycarbonylphenyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (4-ethoxycarbonylphenyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (4-ethoxycarbonylphenyl) 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (4-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (4-carbethoxyphenyl) ester Formula: C20H17I3N2O6 MolecularWeight: 762.07219

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C20H17I3N2O6/c1-4-30-19(28)11-5-7-12(8-6-11)31-20(29)13-14(21)17(24-9(2)26)16(23)18(15(13)22)25-10(3)27/h5-8H,4H2,1-3H3,(H,24,26)(H,25,27)