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Details

Stereochemistry RACEMIC
Molecular Formula C10H13O6S.K
Molecular Weight 300.37
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Potassium ?,4-Dihydroxy-3-methoxy-?-methylbenzeneethanesulfonate

SMILES

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

InChI

InChIKey=UHFQRRDSERATAD-UHFFFAOYSA-M
InChI=1S/C10H14O6S.K/c1-10(12,17(13,14)15)6-7-3-4-8(11)9(5-7)16-2;/h3-5,11-12H,6H2,1-2H3,(H,13,14,15);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzeneethanesulfonic acid, ?,4-dihydroxy-3-methoxy-?-methyl-, potassium salt (1:1)
Preferred Name English
Potassium ?,4-Dihydroxy-3-methoxy-?-methylbenzeneethanesulfonate
Common Name English
Potassium 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propane-2-sulfonate
Systematic Name English
?,4-Dihydroxy-3-methoxy-?-methyl-benzeneethanesulfonic acid potassium salt
Systematic Name English
Code System Code Type Description
CAS
1316753-66-8
Created by admin on Wed Apr 02 21:22:17 GMT 2025 , Edited by admin on Wed Apr 02 21:22:17 GMT 2025
PRIMARY
FDA UNII
M5UT5G852E
Created by admin on Wed Apr 02 21:22:17 GMT 2025 , Edited by admin on Wed Apr 02 21:22:17 GMT 2025
PRIMARY
PUBCHEM
71316251
Created by admin on Wed Apr 02 21:22:17 GMT 2025 , Edited by admin on Wed Apr 02 21:22:17 GMT 2025
PRIMARY
NIH
NCATS
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