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Details

Stereochemistry ACHIRAL
Molecular Formula C10H6I3NO5
Molecular Weight 600.8718
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Acetylamino-2,4,6-triiodoisophthalic acid

SMILES

CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(C(O)=O)=C1I

InChI

InChIKey=MYWMLEMKOKPNAP-UHFFFAOYSA-N
InChI=1S/C10H6I3NO5/c1-2(15)14-8-6(12)3(9(16)17)5(11)4(7(8)13)10(18)19/h1H3,(H,14,15)(H,16,17)(H,18,19)

HIDE SMILES / InChI

Molecular Formula C10H6I3NO5
Molecular Weight 600.8718
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:16:31 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:31 GMT 2025
Record UNII
PW96ZP7R7T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Benzenedicarboxylic acid, 5-(acetylamino)-2,4,6-triiodo-
Preferred Name English
5-Acetylamino-2,4,6-triiodoisophthalic acid
Common Name English
5-(Acetylamino)-2,4,6-triiodo-1,3-benzenedicarboxylic acid
Systematic Name English
Code System Code Type Description
CAS
90947-02-7
Created by admin on Wed Apr 02 19:16:31 GMT 2025 , Edited by admin on Wed Apr 02 19:16:31 GMT 2025
PRIMARY
FDA UNII
PW96ZP7R7T
Created by admin on Wed Apr 02 19:16:31 GMT 2025 , Edited by admin on Wed Apr 02 19:16:31 GMT 2025
PRIMARY
PUBCHEM
4098478
Created by admin on Wed Apr 02 19:16:31 GMT 2025 , Edited by admin on Wed Apr 02 19:16:31 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Process related impurity