CAS Registry Number®
85-36-9
CAS Name
Acetrizoic acid
Molecular Formula
C9H6I3NO3
Molecular Mass
556.86
Compound Properties
-
Melting Point (1)
280-280.5 °C (decomp)
Source(s)
- (1) Wallingford, V. H.; Journal of the American Chemical Society, (1952), 74, 4365-8, CAplus
Other Names and Identifiers
InChI
InChI=1S/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)
InChIKey
InChIKey=GNOGSFBXBWBTIG-UHFFFAOYSA-N
SMILES
N(C(C)=O)C1=C(I)C(C(O)=O)=C(I)C=C1I
Canonical SMILES
O=C(O)C=1C(I)=CC(I)=C(NC(=O)C)C1I
Other Names for this Substance
- Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-
- Benzoic acid, 3-acetamido-2,4,6-triiodo-
- 3-(Acetylamino)-2,4,6-triiodobenzoic acid
- 3-Acetamido-2,4,6-triiodobenzoic acid
- 2,4,6-Triiodo-3-acetamidobenzoic acid
