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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H12ClNO4S
Molecular Weight 325.767
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOXACHLORTOLE

SMILES

CS(=O)(=O)C1=C(C=CC(Cl)=C1)C(=O)C2=C(ON=C2)C3CC3

InChI

InChIKey=LNGRZPZKVUBWQV-UHFFFAOYSA-N
InChI=1S/C14H12ClNO4S/c1-21(18,19)12-6-9(15)4-5-10(12)13(17)11-7-16-20-14(11)8-2-3-8/h4-8H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H12ClNO4S
Molecular Weight 325.767
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 Mon Mar 31 18:54:22 GMT 2025
Edited
by admin
on Mon Mar 31 18:54:22 GMT 2025
Record UNII
6BRK8TS960
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOXACHLORTOLE [ISO]
Preferred Name English
ISOXACHLORTOLE
ISO  
Common Name English
(4-CHLORO-2-MESYLPHENYL)( 5-CYCLOPROPYL-1,2-OXAZOL-4-YL)METHANONE
Systematic Name English
(4-CHLORO-2-(METHYLSULFONYL)PHENYL)(5-CYCLOPROPYL-4-ISOXAZOLYL)METHANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
15452203
Created by admin on Mon Mar 31 18:54:22 GMT 2025 , Edited by admin on Mon Mar 31 18:54:22 GMT 2025
PRIMARY
CAS
141112-06-3
Created by admin on Mon Mar 31 18:54:22 GMT 2025 , Edited by admin on Mon Mar 31 18:54:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID9057973
Created by admin on Mon Mar 31 18:54:22 GMT 2025 , Edited by admin on Mon Mar 31 18:54:22 GMT 2025
PRIMARY
FDA UNII
6BRK8TS960
Created by admin on Mon Mar 31 18:54:22 GMT 2025 , Edited by admin on Mon Mar 31 18:54:22 GMT 2025
PRIMARY
ALANWOOD
isoxachlortole
Created by admin on Mon Mar 31 18:54:22 GMT 2025 , Edited by admin on Mon Mar 31 18:54:22 GMT 2025
PRIMARY