1-acetyloxyethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 1-acetyloxyethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate Openeye Name: 1-acetoxyethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid 1-acetyloxyethyl ester IUPAC Name: 1-acetyloxyethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic acid 1-acetoxyethyl ester Formula: C16H17I3N2O6 MolecularWeight: 714.02939

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C)OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I

Isomeric SMILES

CC(OC(=O)C)OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C16H17I3N2O6/c1-6(22)20-14-11(17)10(16(25)27-9(4)26-8(3)24)12(18)15(13(14)19)21(5)7(2)23/h9H,1-5H3,(H,20,22)