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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2O6S
Molecular Weight 312.298
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=ODFCMJFINVPRFA-UHFFFAOYSA-N
InChI=1S/C12H12N2O6S/c1-2-20-12(16)10-7-11(15)14(13-10)8-3-5-9(6-4-8)21(17,18)19/h3-6H,2,7H2,1H3,(H,17,18,19)

HIDE SMILES / InChI

Approval Year