U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H9I2NO2
Molecular Weight 441.0036
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CYANO-2,6-DIIODOPHENYL BUTYRATE

SMILES

CCCC(=O)OC1=C(I)C=C(C=C1I)C#N

InChI

InChIKey=AKKGPRGLGMMLBJ-UHFFFAOYSA-N
InChI=1S/C11H9I2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-CYANO-2,6-DIIODOPHENYL BUTYRATE
Systematic Name English
(4-CYANO-2,6-DIIODOPHENYL) BUTANOATE
Systematic Name English
BUTANOIC ACID, 4-CYANO-2,6-DIIODOPHENYL ESTER
Systematic Name English
4-CYANO-2,6-DIIODOPHENYL BUTANOATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50221607
Created by admin on Sat Dec 16 12:40:23 GMT 2023 , Edited by admin on Sat Dec 16 12:40:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
275-431-2
Created by admin on Sat Dec 16 12:40:23 GMT 2023 , Edited by admin on Sat Dec 16 12:40:23 GMT 2023
PRIMARY
FDA UNII
NG76G8A75Q
Created by admin on Sat Dec 16 12:40:23 GMT 2023 , Edited by admin on Sat Dec 16 12:40:23 GMT 2023
PRIMARY
PUBCHEM
117160
Created by admin on Sat Dec 16 12:40:23 GMT 2023 , Edited by admin on Sat Dec 16 12:40:23 GMT 2023
PRIMARY
CAS
71412-25-4
Created by admin on Sat Dec 16 12:40:23 GMT 2023 , Edited by admin on Sat Dec 16 12:40:23 GMT 2023
PRIMARY