3-(4,5-DIHYDRO-3-ISOXAZOLYL)-2-METHYL-4-(METHYLSULFONYL)BENZOIC ACID

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H13NO5S
Molecular Weight	283.3
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(4,5-DIHYDRO-3-ISOXAZOLYL)-2-METHYL-4-(METHYLSULFONYL)BENZOIC ACID

Structure Search

SMILES

CC1=C(C2=NOCC2)C(=CC=C1C(O)=O)S(C)(=O)=O

InChI

InChIKey=JHIDHJCCPYAESR-UHFFFAOYSA-N

InChI=1S/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula	C12H13NO5S
Molecular Weight	283.3
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:54:09 GMT 2025` Edited by `admin` on `Mon Mar 31 22:54:09 GMT 2025`
Record UNII	293W9556ML
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-(4,5-DIHYDRO-3-ISOXAZOLYL)-2-METHYL-4-(METHYLSULFONYL)BENZOIC ACID

Systematic Name

English

BENZOIC ACID, 3-(4,5-DIHYDRO-3-ISOXAZOLYL)-2-METHYL-4-(METHYLSULFONYL)-

Preferred Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

623009

Created by admin on Mon Mar 31 22:54:09 GMT 2025 , Edited by admin on Mon Mar 31 22:54:09 GMT 2025

Code System Code Type Description

EPA CompTox

DTXSID10895085

Created by admin on Mon Mar 31 22:54:09 GMT 2025 , Edited by admin on Mon Mar 31 22:54:09 GMT 2025

PRIMARY

FDA UNII

293W9556ML

Created by admin on Mon Mar 31 22:54:09 GMT 2025 , Edited by admin on Mon Mar 31 22:54:09 GMT 2025

PRIMARY

PUBCHEM

15477476

Created by admin on Mon Mar 31 22:54:09 GMT 2025 , Edited by admin on Mon Mar 31 22:54:09 GMT 2025

PRIMARY

CAS

223646-24-0

Created by admin on Mon Mar 31 22:54:09 GMT 2025 , Edited by admin on Mon Mar 31 22:54:09 GMT 2025

PRIMARY