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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-TOLUENESULFONYLACETIC ACID

SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(O)=O

InChI

InChIKey=AQDHXMBUTDLAMD-UHFFFAOYSA-N
InChI=1S/C9H10O4S/c1-7-2-4-8(5-3-7)14(12,13)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

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:36:18 GMT 2025
Edited
by admin
on Mon Mar 31 19:36:18 GMT 2025
Record UNII
YID78NF77O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-TOLUENESULFONYLACETIC ACID
Common Name English
P-TOLUENESULPHONYLACETIC ACID
Preferred Name English
P-TOLUENESULFONYLACETIC ACID
Common Name English
((4-METHYLPHENYL)SULFONYL)ACETIC ACID
Systematic Name English
4-TOLUENESULPHONYLACETIC ACID
Systematic Name English
NSC-46893
Code English
Code System Code Type Description
FDA UNII
YID78NF77O
Created by admin on Mon Mar 31 19:36:18 GMT 2025 , Edited by admin on Mon Mar 31 19:36:18 GMT 2025
PRIMARY
PUBCHEM
77538
Created by admin on Mon Mar 31 19:36:18 GMT 2025 , Edited by admin on Mon Mar 31 19:36:18 GMT 2025
PRIMARY
CAS
3937-96-0
Created by admin on Mon Mar 31 19:36:18 GMT 2025 , Edited by admin on Mon Mar 31 19:36:18 GMT 2025
PRIMARY
NSC
46893
Created by admin on Mon Mar 31 19:36:18 GMT 2025 , Edited by admin on Mon Mar 31 19:36:18 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-518-0
Created by admin on Mon Mar 31 19:36:18 GMT 2025 , Edited by admin on Mon Mar 31 19:36:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID80192573
Created by admin on Mon Mar 31 19:36:18 GMT 2025 , Edited by admin on Mon Mar 31 19:36:18 GMT 2025
PRIMARY