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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9O3S.H4N
Molecular Weight 203.259
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM 3,4-DIMETHYLBENZENESULFONATE

SMILES

[NH4+].CC1=C(C)C=C(C=C1)S([O-])(=O)=O

InChI

InChIKey=HDMGIDHAXIXUIQ-UHFFFAOYSA-N
InChI=1S/C8H10O3S.H3N/c1-6-3-4-8(5-7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);1H3

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
AMMONIUM 3,4-DIMETHYLBENZENESULFONATE
Systematic Name English
BENZENESULFONIC ACID, 3,4-DIMETHYL-, AMMONIUM SALT (1:1)
Common Name English
Code System Code Type Description
CAS
1233920-68-7
Created by admin on Fri Dec 15 18:50:15 UTC 2023 , Edited by admin on Fri Dec 15 18:50:15 UTC 2023
PRIMARY
FDA UNII
61302H53EF
Created by admin on Fri Dec 15 18:50:15 UTC 2023 , Edited by admin on Fri Dec 15 18:50:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID50154002
Created by admin on Fri Dec 15 18:50:15 UTC 2023 , Edited by admin on Fri Dec 15 18:50:15 UTC 2023
PRIMARY
PUBCHEM
71587952
Created by admin on Fri Dec 15 18:50:15 UTC 2023 , Edited by admin on Fri Dec 15 18:50:15 UTC 2023
PRIMARY
NIH
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