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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12O3S
Molecular Weight 200.255
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MESITYLENE-2-SULFONIC ACID DIHYDRATE

SMILES

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

InChI

InChIKey=LXFQSRIDYRFTJW-UHFFFAOYSA-N
InChI=1S/C9H12O3S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H,10,11,12)

HIDE SMILES / InChI

Molecular Formula C9H12O3S
Molecular Weight 200.255
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 19:24:48 GMT 2025
Edited
by admin
on Tue Apr 01 19:24:48 GMT 2025
Record UNII
B7T8KN72DC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-5233
Preferred Name English
MESITYLENE-2-SULFONIC ACID DIHYDRATE
Systematic Name English
BENZENESULFONIC ACID, 2,4,6-TRIMETHYL-
Systematic Name English
2,4,6-TRIMETHYLBENZENESULFONIC ACID
Systematic Name English
2-MESITYLENESULFONIC ACID
Common Name English
2,4,6-TRIMETHYLBENZENE-1-SULFONIC ACID
Systematic Name English
MESITYLSULFONIC ACID
Common Name English
MESITYLENESULFONIC ACID
Common Name English
Code System Code Type Description
NSC
5233
Created by admin on Tue Apr 01 19:24:48 GMT 2025 , Edited by admin on Tue Apr 01 19:24:48 GMT 2025
PRIMARY
CAS
3453-83-6
Created by admin on Tue Apr 01 19:24:48 GMT 2025 , Edited by admin on Tue Apr 01 19:24:48 GMT 2025
PRIMARY
ECHA (EC/EINECS)
222-379-3
Created by admin on Tue Apr 01 19:24:48 GMT 2025 , Edited by admin on Tue Apr 01 19:24:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID20188076
Created by admin on Tue Apr 01 19:24:48 GMT 2025 , Edited by admin on Tue Apr 01 19:24:48 GMT 2025
PRIMARY
PUBCHEM
76992
Created by admin on Tue Apr 01 19:24:48 GMT 2025 , Edited by admin on Tue Apr 01 19:24:48 GMT 2025
PRIMARY
FDA UNII
B7T8KN72DC
Created by admin on Tue Apr 01 19:24:48 GMT 2025 , Edited by admin on Tue Apr 01 19:24:48 GMT 2025
PRIMARY