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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H11O4S.K
Molecular Weight 218.312
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Potassium 3-(prop-2-en-1-yloxy)propane-1-sulfonate

SMILES

[K+].[O-]S(=O)(=O)CCCOCC=C

InChI

InChIKey=VHFYFKHKGFFLTE-UHFFFAOYSA-M
InChI=1S/C6H12O4S.K/c1-2-4-10-5-3-6-11(7,8)9;/h2H,1,3-6H2,(H,7,8,9);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H11O4S
Molecular Weight 179.214
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 12:35:51 GMT 2023
Edited
by admin
on Sat Dec 16 12:35:51 GMT 2023
Record UNII
ATK35PQ9UD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Potassium 3-(prop-2-en-1-yloxy)propane-1-sulfonate
Systematic Name English
Potassium 3-(allyloxy)propanesulfonate
Systematic Name English
Potassium 3-(allyloxy)propanesulphonate
Systematic Name English
1-Propanesulfonic acid, 3-(2-propen-1-yloxy)-, potassium salt (1:1)
Systematic Name English
1-Propanesulfonic acid, 3-(2-propen-1-yloxy)-, potassium salt
Systematic Name English
Code System Code Type Description
PUBCHEM
23662636
Created by admin on Sat Dec 16 12:35:51 GMT 2023 , Edited by admin on Sat Dec 16 12:35:51 GMT 2023
PRIMARY
CAS
94231-63-7
Created by admin on Sat Dec 16 12:35:51 GMT 2023 , Edited by admin on Sat Dec 16 12:35:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
303-882-8
Created by admin on Sat Dec 16 12:35:51 GMT 2023 , Edited by admin on Sat Dec 16 12:35:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID20241130
Created by admin on Sat Dec 16 12:35:51 GMT 2023 , Edited by admin on Sat Dec 16 12:35:51 GMT 2023
PRIMARY
FDA UNII
ATK35PQ9UD
Created by admin on Sat Dec 16 12:35:51 GMT 2023 , Edited by admin on Sat Dec 16 12:35:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE