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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H8Cl2I3NO5
Molecular Weight 709.826
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-[[(2S)-2-(Acetyloxy)-1-oxopropyl]amino]-2,4,6-triiodo-1,3-benzenedicarbonyl dichloride

SMILES

C[C@H](OC(C)=O)C(=O)NC1=C(I)C(C(Cl)=O)=C(I)C(C(Cl)=O)=C1I

InChI

InChIKey=GMPOMLNJZPYPGR-VKHMYHEASA-N
InChI=1S/C13H8Cl2I3NO5/c1-3(24-4(2)20)13(23)19-10-8(17)5(11(14)21)7(16)6(9(10)18)12(15)22/h3H,1-2H3,(H,19,23)/t3-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H8Cl2I3NO5
Molecular Weight 709.826
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:16:38 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:38 GMT 2025
Record UNII
LF9HS6ZU4L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-[[(2S)-2-(Acetyloxy)-1-oxopropyl]amino]-2,4,6-triiodo-1,3-benzenedicarbonyl dichloride
Systematic Name English
1,3-Benzenedicarbonyl dichloride, 5-[[(2S)-2-(acetyloxy)-1-oxopropyl]amino]-2,4,6-triiodo-
Preferred Name English
1,3-Benzenedicarbonyl dichloride, 5-[[2-(acetyloxy)-1-oxopropyl]amino]-2,4,6-triiodo-, (S)-
Systematic Name English
Acetic acid (S)-1-[[3,5-bis(chlorocarbonyl)-2,4,6-triiodophenyl]amino]-1-oxopropan-2-yl ester
Systematic Name English
Code System Code Type Description
FDA UNII
LF9HS6ZU4L
Created by admin on Wed Apr 02 19:16:38 GMT 2025 , Edited by admin on Wed Apr 02 19:16:38 GMT 2025
PRIMARY
CAS
60166-91-8
Created by admin on Wed Apr 02 19:16:38 GMT 2025 , Edited by admin on Wed Apr 02 19:16:38 GMT 2025
PRIMARY
PUBCHEM
9875009
Created by admin on Wed Apr 02 19:16:38 GMT 2025 , Edited by admin on Wed Apr 02 19:16:38 GMT 2025
PRIMARY