sodium 3-acetamido-5-(dimethylcarbamoyl)-2,4,6-tris(iodanyl)benzoate

Systemtic Name: sodium 3-acetamido-5-(dimethylcarbamoyl)-2,4,6-tris(iodanyl)benzoate Openeye Name: sodium 3-acetamido-5-(dimethylcarbamoyl)-2,4,6-triiodo-benzoate CAS Name: sodium 3-acetamido-5-[dimethylamino(oxo)methyl]-2,4,6-triiodobenzoate IUPAC Name: sodium 3-acetamido-5-(dimethylcarbamoyl)-2,4,6-triiodobenzoate Traditional Name: sodium 3-acetamido-5-(dimethylcarbamoyl)-2,4,6-triiodo-benzoate Formula: C12H10I3N2NaO4 MolecularWeight: 649.92198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)N(C)C)I.[Na+]

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)N(C)C)I.[Na+]

InChI

InChI=1S/C12H11I3N2O4.Na/c1-4(18)16-10-8(14)5(11(19)17(2)3)7(13)6(9(10)15)12(20)21;/h1-3H3,(H,16,18)(H,20,21);/q;+1/p-1