ethanamide; (6-ethoxy-5-methyl-6-oxidanylidene-hexyl) 3-acetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: ethanamide; (6-ethoxy-5-methyl-6-oxidanylidene-hexyl) 3-acetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: acetamide; (6-ethoxy-5-methyl-6-oxo-hexyl) 3-acetamido-2,4,6-triiodo-benzoate CAS Name: acetamide; 3-acetamido-2,4,6-triiodobenzoic acid (6-ethoxy-5-methyl-6-oxohexyl) ester IUPAC Name: acetamide; (6-ethoxy-5-methyl-6-oxohexyl) 3-acetamido-2,4,6-triiodobenzoate Traditional Name: acetamide; 3-acetamido-2,4,6-triiodo-benzoic acid (6-ethoxy-6-keto-5-methyl-hexyl) ester Formula: C20H27I3N2O6 MolecularWeight: 772.15159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCCCOC(=O)C1=C(C(=C(C=C1I)I)NC(=O)C)I.CC(=O)N

Isomeric SMILES

CCOC(=O)C(C)CCCCOC(=O)C1=C(C(=C(C=C1I)I)NC(=O)C)I.CC(=O)N

InChI

InChI=1S/C18H22I3NO5.C2H5NO/c1-4-26-17(24)10(2)7-5-6-8-27-18(25)14-12(19)9-13(20)16(15(14)21)22-11(3)23;1-2(3)4/h9-10H,4-8H2,1-3H3,(H,22,23);1H3,(H2,3,4)