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Details

Stereochemistry RACEMIC
Molecular Formula C10H14O6S
Molecular Weight 262.28
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ?,4-Dihydroxy-3-methoxy-?-methylbenzeneethanesulfonic acid

SMILES

COC1=C(O)C=CC(CC(C)(O)S(O)(=O)=O)=C1

InChI

InChIKey=FLWXOXVWZCFXEZ-UHFFFAOYSA-N
InChI=1S/C10H14O6S/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)

HIDE SMILES / InChI

Molecular Formula C10H14O6S
Molecular Weight 262.28
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:05:33 GMT 2025
Edited
by admin
on Wed Apr 02 20:05:33 GMT 2025
Record UNII
TGY23JFM3Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
?,4-Dihydroxy-3-methoxy-?-methylbenzeneethanesulfonic acid
Systematic Name English
2-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)propane-2-sulfonic acid
Preferred Name English
Benzeneethanesulfonic acid, ?,4-dihydroxy-3-methoxy-?-methyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
25090837
Created by admin on Wed Apr 02 20:05:33 GMT 2025 , Edited by admin on Wed Apr 02 20:05:33 GMT 2025
PRIMARY
CAS
791736-38-4
Created by admin on Wed Apr 02 20:05:33 GMT 2025 , Edited by admin on Wed Apr 02 20:05:33 GMT 2025
PRIMARY
FDA UNII
TGY23JFM3Z
Created by admin on Wed Apr 02 20:05:33 GMT 2025 , Edited by admin on Wed Apr 02 20:05:33 GMT 2025
PRIMARY