Diatrizoate

CAS Registry Number®

117-96-4
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CAS Name

Diatrizoate

Molecular Formula

C11H9I3N2O4

Molecular Mass

613.91

Cite this Page

Diatrizoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117-96-4 (retrieved 2024-04-20) (CAS RN: 117-96-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C11H9I3N2O4/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)

InChIKey

InChIKey=YVPYQUNUQOZFHG-UHFFFAOYSA-N

SMILES

N(C(C)=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I

Canonical SMILES

O=C(O)C=1C(I)=C(NC(=O)C)C(I)=C(NC(=O)C)C1I

Other Names for this Substance

  • Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-
  • Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-
  • 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid
  • Amidotrizoic acid
  • Diatrizoate

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