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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9ClN2O4S
Molecular Weight 288.707
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid

SMILES

CC1=NN(C(=O)C1)C2=CC(=CC=C2Cl)S(O)(=O)=O

InChI

InChIKey=UWLNKHDLVZEYKQ-UHFFFAOYSA-N
InChI=1S/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-3,5H,4H2,1H3,(H,15,16,17)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
Systematic Name English
NSC-26425
Preferred Name English
4-Chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid
Systematic Name English
Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
Systematic Name English
Code System Code Type Description
CAS
88-76-6
Created by admin on Wed Apr 02 18:06:55 GMT 2025 , Edited by admin on Wed Apr 02 18:06:55 GMT 2025
PRIMARY
FDA UNII
ADC2W9RR9X
Created by admin on Wed Apr 02 18:06:55 GMT 2025 , Edited by admin on Wed Apr 02 18:06:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID1058977
Created by admin on Wed Apr 02 18:06:55 GMT 2025 , Edited by admin on Wed Apr 02 18:06:55 GMT 2025
PRIMARY
PUBCHEM
66625
Created by admin on Wed Apr 02 18:06:55 GMT 2025 , Edited by admin on Wed Apr 02 18:06:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-858-0
Created by admin on Wed Apr 02 18:06:55 GMT 2025 , Edited by admin on Wed Apr 02 18:06:55 GMT 2025
PRIMARY
NSC
26425
Created by admin on Wed Apr 02 18:06:55 GMT 2025 , Edited by admin on Wed Apr 02 18:06:55 GMT 2025
PRIMARY
NIH
NCATS
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