3,5-Bis(Acetylamino)-2,4,6-Tri(131I)Iodobenzoic Acid Sodium Salt
[CAS# 14855-77-7]

Identification

• Name: 3,5-Bis(Acetylamino)-2,4,6-Tri(131I)Iodobenzoic Acid Sodium Salt
• Synonyms: Diatrizoate Sodium I 131; D03770; Diatrizoate Sodium I 131 (Usan)
• Molecular Formula: C₁₁H₈I₃N₂NaO₄
• Molecular Weight: 635.90
• CAS Registry Number: 14855-77-7
• SMILES: [131I]C1=C(C(=C(NC(C)=O)C(=C1C(=O)[O-])[131I])[131I])NC(C)=O.[Na+]
• 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/i12+4,13+4,14+4
• InChIKey: ZEYOIOAKZLALAP-KYJPGBFZSA-M