5-CHLORO-2-METHYL-3-(3-SULPHONATOPROPYL)BENZOXAZOLIUM

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H12ClNO4S
Molecular Weight	289.735
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-CHLORO-2-METHYL-3-(3-SULPHONATOPROPYL)BENZOXAZOLIUM

Structure Search

SMILES

CC1=[N+](CCCS([O-])(=O)=O)C2=C(O1)C=CC(Cl)=C2

InChI

InChIKey=FGLWJZIQGDRVHX-UHFFFAOYSA-N

InChI=1S/C11H12ClNO4S/c1-8-13(5-2-6-18(14,15)16)10-7-9(12)3-4-11(10)17-8/h3-4,7H,2,5-6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H12ClNO4S
Molecular Weight	289.735
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 16:58:23 GMT 2025` Edited by `admin` on `Tue Apr 01 16:58:23 GMT 2025`
Record UNII	D2V69QDG5D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-CHLORO-2-METHYL-3-(3-SULPHONATOPROPYL)BENZOXAZOLIUM

Systematic Name

English

BENZOXAZOLIUM, 5-CHLORO-2-METHYL-3-(3-SULFOPROPYL)-, INNER SALT

Preferred Name

English

Code System Code Type Description

PUBCHEM

104039

Created by admin on Tue Apr 01 16:58:23 GMT 2025 , Edited by admin on Tue Apr 01 16:58:23 GMT 2025

PRIMARY

EPA CompTox

DTXSID6068696

Created by admin on Tue Apr 01 16:58:23 GMT 2025 , Edited by admin on Tue Apr 01 16:58:23 GMT 2025

PRIMARY

CAS

51981-33-0

Created by admin on Tue Apr 01 16:58:23 GMT 2025 , Edited by admin on Tue Apr 01 16:58:23 GMT 2025

PRIMARY

FDA UNII

D2V69QDG5D

Created by admin on Tue Apr 01 16:58:23 GMT 2025 , Edited by admin on Tue Apr 01 16:58:23 GMT 2025

PRIMARY

ECHA (EC/EINECS)

257-574-2

Created by admin on Tue Apr 01 16:58:23 GMT 2025 , Edited by admin on Tue Apr 01 16:58:23 GMT 2025

PRIMARY