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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9O5S.K
Molecular Weight 256.317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM 5-HYDROXY-4-METHOXY-2-METHYL-BENZENESULFONATE

SMILES

[K+].COC1=C(O)C=C(C(C)=C1)S([O-])(=O)=O

InChI

InChIKey=RYGQIPAPEJGHAZ-UHFFFAOYSA-M
InChI=1S/C8H10O5S.K/c1-5-3-7(13-2)6(9)4-8(5)14(10,11)12;/h3-4,9H,1-2H3,(H,10,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C8H9O5S
Molecular Weight 217.219
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:02:42 GMT 2025
Edited
by admin
on Mon Mar 31 21:02:42 GMT 2025
Record UNII
D9QT7K3188
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POTASSIUM 5-HYDROXY-4-METHOXY-2-METHYL-BENZENESULFONATE
Preferred Name English
Code System Code Type Description
PUBCHEM
76970961
Created by admin on Mon Mar 31 21:02:43 GMT 2025 , Edited by admin on Mon Mar 31 21:02:43 GMT 2025
PRIMARY
FDA UNII
D9QT7K3188
Created by admin on Mon Mar 31 21:02:43 GMT 2025 , Edited by admin on Mon Mar 31 21:02:43 GMT 2025
PRIMARY