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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6I2O4
Molecular Weight 431.9505
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Hydroxy-3,5-diiodo-?-oxobenzenepropanoic acid

SMILES

OC(=O)C(=O)CC1=CC(I)=C(O)C(I)=C1

InChI

InChIKey=TZPLBTUUWSVGCY-UHFFFAOYSA-N
InChI=1S/C9H6I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C9H6I2O4
Molecular Weight 431.9505
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 05:22:08 GMT 2025
Edited
by admin
on Wed Apr 02 05:22:08 GMT 2025
Record UNII
4S8WN7Q86Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Hydroxy-3,5-diiodo-?-oxobenzenepropanoic acid
Systematic Name English
3-(3,5-Bis(iodanyl)-4-oxidanyl-phenyl)-2-oxidanylidene-propanoic acid
Preferred Name English
Benzenepropanoic acid, 4-hydroxy-3,5-diiodo-?-oxo-
Systematic Name English
Code System Code Type Description
FDA UNII
4S8WN7Q86Y
Created by admin on Wed Apr 02 05:22:08 GMT 2025 , Edited by admin on Wed Apr 02 05:22:08 GMT 2025
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EPA CompTox
DTXSID80228649
Created by admin on Wed Apr 02 05:22:08 GMT 2025 , Edited by admin on Wed Apr 02 05:22:08 GMT 2025
PRIMARY
PUBCHEM
192726
Created by admin on Wed Apr 02 05:22:08 GMT 2025 , Edited by admin on Wed Apr 02 05:22:08 GMT 2025
PRIMARY
CAS
780-00-7
Created by admin on Wed Apr 02 05:22:08 GMT 2025 , Edited by admin on Wed Apr 02 05:22:08 GMT 2025
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