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

Systemtic Name: sodium 3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoate Openeye Name: sodium 3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoate CAS Name: sodium 3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoate IUPAC Name: sodium 3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoate Traditional Name: sodium 3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoate Formula: C11H8I3N2NaO4 MolecularWeight: 647.900363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1[131I])C(=O)[O-])[131I])C(=O)NC)[131I].[Na+]

InChI

InChI=1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1/i12+4,13+4,14+4;