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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6I3NO4
Molecular Weight 572.8617
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methyl 5-amino-2,4,6-triiodo-1,3-benzenedicarboxylate

SMILES

COC(=O)C1=C(I)C(N)=C(I)C(C(O)=O)=C1I

InChI

InChIKey=URNNVACKJFTYLF-UHFFFAOYSA-N
InChI=1S/C9H6I3NO4/c1-17-9(16)3-4(10)2(8(14)15)5(11)7(13)6(3)12/h13H2,1H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C9H6I3NO4
Molecular Weight 572.8617
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 20:48:09 GMT 2025
Edited
by admin
on Wed Apr 02 20:48:09 GMT 2025
Record UNII
2WUN9XHW64
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Benzenedicarboxylic acid, 5-amino-2,4,6-triiodo-, 1-methyl ester
Preferred Name English
1-Methyl 5-amino-2,4,6-triiodo-1,3-benzenedicarboxylate
Systematic Name English
Isophthalic acid, 5-amino-2,4,6-triiodo-, monomethyl ester
Systematic Name English
3-Amino-5-methoxycarbonyl-2,4,6-triiodobenzoic acid
Systematic Name English
Code System Code Type Description
CAS
28179-48-8
Created by admin on Wed Apr 02 20:48:09 GMT 2025 , Edited by admin on Wed Apr 02 20:48:09 GMT 2025
PRIMARY
PUBCHEM
152055164
Created by admin on Wed Apr 02 20:48:09 GMT 2025 , Edited by admin on Wed Apr 02 20:48:09 GMT 2025
PRIMARY
FDA UNII
2WUN9XHW64
Created by admin on Wed Apr 02 20:48:09 GMT 2025 , Edited by admin on Wed Apr 02 20:48:09 GMT 2025
PRIMARY