Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-, calcium salt (2:1)
CAS Registry Number®
20828-80-2
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CAS Name
Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-, calcium salt (2:1)Molecular Formula
C12H11I3N2O4.1/2CaCite this Page
Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-, calcium salt (2:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=20828-80-2 (retrieved ) (CAS RN: 20828-80-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C12H11I3N2O4.Ca/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;/h1-3H3,(H,16,18)(H,20,21);
InChIKey
InChIKey=HZKBAEBVWHSFGK-UHFFFAOYSA-N
SMILES
N(C(C)=O)(C)C1=C(I)C(NC(C)=O)=C(I)C(C(O)=O)=C1I.[Ca]
Canonical SMILES
[Ca].O=C(O)C1=C(I)C(NC(=O)C)=C(I)C(=C1I)N(C(=O)C)C
Other Names for this Substance
- Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-, calcium salt (2:1)
- Benzoic acid, 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)-, calcium salt (2:1)
- Calcium metrizoate
