sodium 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate dihydrate

Systemtic Name: sodium 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate dihydrate Openeye Name: sodium 3,5-diacetamido-2,4,6-triiodo-benzoate dihydrate CAS Name: sodium 3,5-diacetamido-2,4,6-triiodobenzoate dihydrate IUPAC Name: sodium 3,5-diacetamido-2,4,6-triiodobenzoate dihydrate Traditional Name: sodium 3,5-diacetamido-2,4,6-triiodo-benzoate dihydrate Formula: C11H12I3N2NaO6 MolecularWeight: 671.92596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9I3N2O4.Na.2H2O/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;;;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);;2*1H2/q;+1;;/p-1