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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H16Cl2O3
Molecular Weight 291.17
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL 4-(2,4-DICHLOROPHENOXY)BUTYRATE

SMILES

CC(C)OC(=O)CCCOC1=C(Cl)C=C(Cl)C=C1

InChI

InChIKey=DDIQJQKDYCRPLQ-UHFFFAOYSA-N
InChI=1S/C13H16Cl2O3/c1-9(2)18-13(16)4-3-7-17-12-6-5-10(14)8-11(12)15/h5-6,8-9H,3-4,7H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOPROPYL 4-(2,4-DICHLOROPHENOXY)BUTYRATE
Systematic Name English
1-METHYLETHYL 4-(2,4-DICHLOROPHENOXY)BUTANOATE
Systematic Name English
BUTANOIC ACID, 4-(2,4-DICHLOROPHENOXY)-, 1-METHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
51550-63-1
Created by admin on Sat Dec 16 19:06:45 GMT 2023 , Edited by admin on Sat Dec 16 19:06:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
257-276-2
Created by admin on Sat Dec 16 19:06:45 GMT 2023 , Edited by admin on Sat Dec 16 19:06:45 GMT 2023
PRIMARY
PUBCHEM
103901
Created by admin on Sat Dec 16 19:06:45 GMT 2023 , Edited by admin on Sat Dec 16 19:06:45 GMT 2023
PRIMARY
FDA UNII
G6DE9V2HHH
Created by admin on Sat Dec 16 19:06:45 GMT 2023 , Edited by admin on Sat Dec 16 19:06:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID70199511
Created by admin on Sat Dec 16 19:06:45 GMT 2023 , Edited by admin on Sat Dec 16 19:06:45 GMT 2023
PRIMARY