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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 ethylbenzenesulfonate

SMILES

[NH4+].CCC1=C(C=CC=C1)S([O-])(=O)=O

InChI

InChIKey=KWYUNQQDYXTBAB-UHFFFAOYSA-N
InChI=1S/C8H10O3S.H3N/c1-2-7-5-3-4-6-8(7)12(9,10)11;/h3-6H,2H2,1H3,(H,9,10,11);1H3

HIDE SMILES / InChI

Molecular Formula C8H9O3S
Molecular Weight 185.22
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H4N
Molecular Weight 18.0385
Charge 1
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 Sat Dec 16 19:47:26 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:26 GMT 2023
Record UNII
6G9S4VK8YC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ammonium ethylbenzenesulfonate
Systematic Name English
Benzenesulfonic acid, 2-ethyl-, ammonium salt (1:1)
Systematic Name English
Benzenesulfonic acid, 2-ethyl-, ammonium salt
Common Name English
Code System Code Type Description
CAS
86388-71-8
Created by admin on Sat Dec 16 19:47:26 GMT 2023 , Edited by admin on Sat Dec 16 19:47:26 GMT 2023
PRIMARY
FDA UNII
6G9S4VK8YC
Created by admin on Sat Dec 16 19:47:26 GMT 2023 , Edited by admin on Sat Dec 16 19:47:26 GMT 2023
PRIMARY
PUBCHEM
3017237
Created by admin on Sat Dec 16 19:47:26 GMT 2023 , Edited by admin on Sat Dec 16 19:47:26 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE