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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11O3S.H4N
Molecular Weight 217.285
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM O-CUMENESULFONATE

SMILES

[NH4+].CC(C)C1=CC=CC=C1S([O-])(=O)=O

InChI

InChIKey=LUAVFCBYZUMYCE-UHFFFAOYSA-N
InChI=1S/C9H12O3S.H3N/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);1H3

HIDE SMILES / InChI

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

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 Fri Dec 15 18:50:52 GMT 2023
Edited
by admin
on Fri Dec 15 18:50:52 GMT 2023
Record UNII
9T0LA0S784
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMMONIUM O-CUMENESULFONATE
Common Name English
Code System Code Type Description
FDA UNII
9T0LA0S784
Created by admin on Fri Dec 15 18:50:52 GMT 2023 , Edited by admin on Fri Dec 15 18:50:52 GMT 2023
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PUBCHEM
161945
Created by admin on Fri Dec 15 18:50:52 GMT 2023 , Edited by admin on Fri Dec 15 18:50:52 GMT 2023
PRIMARY