5-(4-FLUOROBENZOYL)-4-HYDROXY-2-METHOXYBENZENESULFONIC ACID

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H11FO6S
Molecular Weight	326.297
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(4-FLUOROBENZOYL)-4-HYDROXY-2-METHOXYBENZENESULFONIC ACID

Structure Search

SMILES

COC1=CC(O)=C(C=C1S(O)(=O)=O)C(=O)C2=CC=C(F)C=C2

InChI

InChIKey=JQQGRPUCPLTRPG-UHFFFAOYSA-N

InChI=1S/C14H11FO6S/c1-21-12-7-11(16)10(6-13(12)22(18,19)20)14(17)8-2-4-9(15)5-3-8/h2-7,16H,1H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula	C14H11FO6S
Molecular Weight	326.297
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 19:20:23 GMT 2025` Edited by `admin` on `Tue Apr 01 19:20:23 GMT 2025`
Record UNII	JFQ99G6UDZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-(4-FLUOROBENZOYL)-4-HYDROXY-2-METHOXYBENZENESULFONIC ACID

Systematic Name

English

BENZENESULFONIC ACID, 5-(4-FLUOROBENZOYL)-4-HYDROXY-2-METHOXY-

Preferred Name

English

Code System Code Type Description

FDA UNII

JFQ99G6UDZ

Created by admin on Tue Apr 01 19:20:23 GMT 2025 , Edited by admin on Tue Apr 01 19:20:23 GMT 2025

PRIMARY

EPA CompTox

DTXSID80233834

Created by admin on Tue Apr 01 19:20:23 GMT 2025 , Edited by admin on Tue Apr 01 19:20:23 GMT 2025

PRIMARY

CAS

84794-98-9

Created by admin on Tue Apr 01 19:20:23 GMT 2025 , Edited by admin on Tue Apr 01 19:20:23 GMT 2025

PRIMARY

ECHA (EC/EINECS)

284-164-0

Created by admin on Tue Apr 01 19:20:23 GMT 2025 , Edited by admin on Tue Apr 01 19:20:23 GMT 2025

PRIMARY

PUBCHEM

3020132

Created by admin on Tue Apr 01 19:20:23 GMT 2025 , Edited by admin on Tue Apr 01 19:20:23 GMT 2025

PRIMARY