Diatrizoate Sodium

Molecular Weight (g/mol)

635.89

Molecular Formula

C11H8I3N2NaO4

InChI

InChI=1S/C11H9I3N2O4.Na/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);/q;+1/p-1

InChIKey

ZEYOIOAKZLALAP-UHFFFAOYSA-M

SMILES

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

IUPAC Name

sodium;3,5-diacetamido-2,4,6-triiodobenzoate

Exact Mass (Da)

635.7516

Monoisotopic Mass (Da)

635.7516