Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, hydrate (1:2)

CAS Registry Number®

50978-11-5

CAS Name

Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, hydrate (1:2)

Molecular Formula

C11H9I3N2O4.2H2O

Cite this Page

Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, hydrate (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50978-11-5 (retrieved 2024-11-22) (CAS RN: 50978-11-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H9I3N2O4.2H2O/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

InChIKey

InChIKey=JHQKUXXJPHSPOL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, hydrate (1:2)
  • Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, dihydrate
  • Diatrizoic acid dihydrate
  • Amidotrizoic acid dihydrate
  • 3,5-Diacetamido-2,4,6-triiodobenzoic acid dihydrate

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