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Details

Stereochemistry ACHIRAL
Molecular Formula C13H6I4O2
Molecular Weight 701.8034
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-Iodophenyl)3,4,5-triiodobenzoate

SMILES

IC1=CC=CC=C1OC(=O)C2=CC(I)=C(I)C(I)=C2

InChI

InChIKey=IHENPGBTLOVCMW-UHFFFAOYSA-N
InChI=1S/C13H6I4O2/c14-8-3-1-2-4-11(8)19-13(18)7-5-9(15)12(17)10(16)6-7/h1-6H

HIDE SMILES / InChI

Molecular Formula C13H6I4O2
Molecular Weight 701.8034
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 Tue Apr 01 19:55:30 GMT 2025
Edited
by admin
on Tue Apr 01 19:55:30 GMT 2025
Record UNII
6WLR8D6AP4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-Iodophenyl)3,4,5-triiodobenzoate
Systematic Name English
NSC-221290
Preferred Name English
PHENOL, 2-IODO-, 3,4,5-TRIIODOBENZOATE
Systematic Name English
Benzoic acid, 3,4,5-triiodo-, 2-iodophenyl ester
Common Name English
2-Iodophenyl 3,4,5-triiodobenzoate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10995231
Created by admin on Tue Apr 01 19:55:30 GMT 2025 , Edited by admin on Tue Apr 01 19:55:30 GMT 2025
PRIMARY
PUBCHEM
99381
Created by admin on Tue Apr 01 19:55:30 GMT 2025 , Edited by admin on Tue Apr 01 19:55:30 GMT 2025
PRIMARY
NSC
221290
Created by admin on Tue Apr 01 19:55:30 GMT 2025 , Edited by admin on Tue Apr 01 19:55:30 GMT 2025
PRIMARY
CAS
73986-56-8
Created by admin on Tue Apr 01 19:55:30 GMT 2025 , Edited by admin on Tue Apr 01 19:55:30 GMT 2025
PRIMARY
FDA UNII
6WLR8D6AP4
Created by admin on Tue Apr 01 19:55:30 GMT 2025 , Edited by admin on Tue Apr 01 19:55:30 GMT 2025
PRIMARY