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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O6S
Molecular Weight 246.237
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Paeonol sulfate

SMILES

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

InChI

InChIKey=RSQFVCRSJCQZST-UHFFFAOYSA-N
InChI=1S/C9H10O6S/c1-6(10)8-4-3-7(14-2)5-9(8)15-16(11,12)13/h3-5H,1-2H3,(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula C9H10O6S
Molecular Weight 246.237
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 Wed Apr 02 11:21:36 GMT 2025
Edited
by admin
on Wed Apr 02 11:21:36 GMT 2025
Record UNII
3N8J5WZL57
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Paeonol sulfate
Common Name English
1-[4-Methoxy-2-(sulfooxy)phenyl]ethanone
Preferred Name English
Ethanone, 1-[4-methoxy-2-(sulfooxy)phenyl]-
Systematic Name English
Code System Code Type Description
CAS
74936-22-4
Created by admin on Wed Apr 02 11:21:36 GMT 2025 , Edited by admin on Wed Apr 02 11:21:36 GMT 2025
PRIMARY
FDA UNII
3N8J5WZL57
Created by admin on Wed Apr 02 11:21:36 GMT 2025 , Edited by admin on Wed Apr 02 11:21:36 GMT 2025
PRIMARY
PUBCHEM
174699
Created by admin on Wed Apr 02 11:21:36 GMT 2025 , Edited by admin on Wed Apr 02 11:21:36 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT