Molecular properties
- Formula
- C11H9I3N2O4
- Molar mass
- 613.91 g·mol−1
- Exact mass
- 613.7696 Da
- 7
- PubChem CID
- 2140
Molecule record
3,5-diacetamido-2,4,6-triiodobenzoic acid
C11H9I3N2O4
613.91 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Amide
Aromatic ring
Aryl halide
Carboxylic acid
Secondary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 117-96-4
- 2,4,6-Triiodo-3,5-diacetamidobenzoic acid
- 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid
- 5UVC90J1LK
- Acide amidotrizoique
- Acidum amidotrizoicum
- Acidum diacetylaminotrijodbenzoicum
- Amidotrizoate
Show all 24 synonyms
- Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-
- DIATRIZOATE
- DTXCID8024521
- DTXSID0044521
- Diat
- Diatriazoate
- Diatrizoesaure
- Diatrizoic acid
- NSC-262168
- Urografin acid
- Urogranoic acid
- Urothrast
- Urotrast
- amidotrizoic acid
- amidotrizoic acid (anhydrous)
- diatrizoic acid (anhydrous)
Structure identifiers
- Canonical SMILES
- CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
- Isomeric SMILES
- CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I
- 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
- YVPYQUNUQOZFHG-UHFFFAOYSA-N
- PubChem CID
- 2140
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3,5-diacetamido-2,4,6-triiodobenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3,5-diacetamido-2,4,6-triiodobenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.