U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 3,5-DIMETHYLBENZENESULFONATE

SMILES

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

InChI

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

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

Molecular Formula H3N
Molecular Weight 17.0305
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 18:50:16 GMT 2023
Edited
by admin
on Fri Dec 15 18:50:16 GMT 2023
Record UNII
O2XU96419A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMMONIUM 3,5-DIMETHYLBENZENESULFONATE
Systematic Name English
Code System Code Type Description
FDA UNII
O2XU96419A
Created by admin on Fri Dec 15 18:50:16 GMT 2023 , Edited by admin on Fri Dec 15 18:50:16 GMT 2023
PRIMARY
PUBCHEM
91617763
Created by admin on Fri Dec 15 18:50:16 GMT 2023 , Edited by admin on Fri Dec 15 18:50:16 GMT 2023
PRIMARY