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

Systemtic Name: ethanamide; 5-oxidanylidenehexyl 3-acetamido-5-ethoxy-2,4,6-tris(iodanyl)benzoate Openeye Name: acetamide; 5-oxohexyl 3-acetamido-5-ethoxy-2,4,6-triiodo-benzoate CAS Name: acetamide; 3-acetamido-5-ethoxy-2,4,6-triiodobenzoic acid 5-oxohexyl ester IUPAC Name: acetamide; 5-oxohexyl 3-acetamido-5-ethoxy-2,4,6-triiodobenzoate Traditional Name: acetamide; 3-acetamido-5-ethoxy-2,4,6-triiodo-benzoic acid 5-ketohexyl ester Formula: C19H25I3N2O6 MolecularWeight: 758.12501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OCCCCC(=O)C)I.CC(=O)N

Isomeric SMILES

CCOC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OCCCCC(=O)C)I.CC(=O)N

InChI

InChI=1S/C17H20I3NO5.C2H5NO/c1-4-25-16-13(19)11(12(18)15(14(16)20)21-10(3)23)17(24)26-8-6-5-7-9(2)22;1-2(3)4/h4-8H2,1-3H3,(H,21,23);1H3,(H2,3,4)