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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H8N2O6S
Molecular Weight 284.245
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PYRAZOLONE T]

SMILES

OC(=O)C1=NN(C(=O)C1)C2=CC=C(C=C2)S(O)(=O)=O

InChI

InChIKey=TYCNXOAPQGVAQU-UHFFFAOYSA-N
InChI=1S/C10H8N2O6S/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18/h1-4H,5H2,(H,14,15)(H,16,17,18)

HIDE SMILES / InChI

Molecular Formula C10H8N2O6S
Molecular Weight 284.245
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 04:39:30 GMT 2025
Edited
by admin
on Wed Apr 02 04:39:30 GMT 2025
Record UNII
2A9HS5E9L7
Record Status alternative
Record Version
  • Download
Related Record Type Details
Primary Definition