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

Systemtic Name: sodium; 3-acetamido-2,4,6-tris(iodanyl)-5-methyl-benzoate; ethanamide Openeye Name: sodium; acetamide; 3-acetamido-2,4,6-triiodo-5-methyl-benzoate CAS Name: sodium; acetamide; 3-acetamido-2,4,6-triiodo-5-methylbenzoate IUPAC Name: sodium; acetamide; 3-acetamido-2,4,6-triiodo-5-methylbenzoate Traditional Name: sodium; acetamide; 3-acetamido-2,4,6-triiodo-5-methyl-benzoate Formula: C12H12I3N2NaO4 MolecularWeight: 651.93786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.CC(=O)N.[Na+]

Isomeric SMILES

CC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.CC(=O)N.[Na+]

InChI

InChI=1S/C10H8I3NO3.C2H5NO.Na/c1-3-6(11)5(10(16)17)8(13)9(7(3)12)14-4(2)15;1-2(3)4;/h1-2H3,(H,14,15)(H,16,17);1H3,(H2,3,4);/q;;+1/p-1