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

Systemtic Name: sodium 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoate Openeye Name: sodium 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoate CAS Name: sodium 3-acetamido-5-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodobenzoate IUPAC Name: sodium 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoate Traditional Name: sodium 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoate Formula: C12H10I3N2NaO5 MolecularWeight: 665.92138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11I3N2O5.Na/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);/q;+1/p-1