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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O4S
Molecular Weight 214.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Mesylphenylacetic acid

SMILES

CS(=O)(=O)C1=CC=C(CC(O)=O)C=C1

InChI

InChIKey=HGGWOSYNRVOQJH-UHFFFAOYSA-N
InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H10O4S
Molecular Weight 214.238
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 22:22:20 GMT 2025
Edited
by admin
on Mon Mar 31 22:22:20 GMT 2025
Record UNII
C39I2W89XI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Mesylphenylacetic acid
Systematic Name English
ETORICOXIB RELATED COMPOUND B
Preferred Name English
4-(METHYLSULFONYL)-PHENYL ACETIC ACID
Systematic Name English
4-(METHYLSULFONYL)-BENZENEACETIC ACID
Systematic Name English
4-(METHYLSULFONYL)BENZENEACETIC ACID
Systematic Name English
2-(4-(METHYLSULFONYL)PHENYL)ACETIC ACID
Systematic Name English
Code System Code Type Description
CAS
90536-66-6
Created by admin on Mon Mar 31 22:22:20 GMT 2025 , Edited by admin on Mon Mar 31 22:22:20 GMT 2025
PRIMARY
PUBCHEM
572345
Created by admin on Mon Mar 31 22:22:20 GMT 2025 , Edited by admin on Mon Mar 31 22:22:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID70341331
Created by admin on Mon Mar 31 22:22:20 GMT 2025 , Edited by admin on Mon Mar 31 22:22:20 GMT 2025
PRIMARY
FDA UNII
C39I2W89XI
Created by admin on Mon Mar 31 22:22:20 GMT 2025 , Edited by admin on Mon Mar 31 22:22:20 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY