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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10O3S
Molecular Weight 186.228
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-Dimethylbenzenesulfonic acid

SMILES

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

InChI

InChIKey=ZZXDRXVIRVJQBT-UHFFFAOYSA-N
InChI=1S/C8H10O3S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)

HIDE SMILES / InChI

Molecular Formula C8H10O3S
Molecular Weight 186.228
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 Fri Dec 15 19:44:30 GMT 2023
Edited
by admin
on Fri Dec 15 19:44:30 GMT 2023
Record UNII
Y39HBC4LEH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-Dimethylbenzenesulfonic acid
Systematic Name English
XYLENESULFONIC ACID
Systematic Name English
2,3-Xylenesulfonic acid
Systematic Name English
o-Xylene-3-sulfonic acid
Systematic Name English
Benzenesulfonic acid, 2,3-dimethyl-
Systematic Name English
2,3-Dimethylbenzene-1-sulfonic acid
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
246-839-8
Created by admin on Fri Dec 15 19:44:30 GMT 2023 , Edited by admin on Fri Dec 15 19:44:30 GMT 2023
PRIMARY
FDA UNII
Y39HBC4LEH
Created by admin on Fri Dec 15 19:44:30 GMT 2023 , Edited by admin on Fri Dec 15 19:44:30 GMT 2023
PRIMARY
CAS
25241-16-1
Created by admin on Fri Dec 15 19:44:30 GMT 2023 , Edited by admin on Fri Dec 15 19:44:30 GMT 2023
PRIMARY
PUBCHEM
172623
Created by admin on Fri Dec 15 19:44:30 GMT 2023 , Edited by admin on Fri Dec 15 19:44:30 GMT 2023
PRIMARY
CAS
25321-41-9
Created by admin on Fri Dec 15 19:44:30 GMT 2023 , Edited by admin on Fri Dec 15 19:44:30 GMT 2023
NON-SPECIFIC SUBSTITUTION
EPA CompTox
DTXSID50881225
Created by admin on Fri Dec 15 19:44:30 GMT 2023 , Edited by admin on Fri Dec 15 19:44:30 GMT 2023
PRIMARY
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