3-acetamido-5-(dimethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-acetamido-5-(dimethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-(dimethylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[dimethylamino(oxo)methyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-(dimethylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-(dimethylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C12H11I3N2O4 MolecularWeight: 627.94015

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N(C)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N(C)C)I

InChI

InChI=1S/C12H11I3N2O4/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)