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Details

Stereochemistry ACHIRAL
Molecular Formula C11H11ClN2O4S
Molecular Weight 302.734
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulfonic acid

SMILES

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

InChI

InChIKey=QENFKLWBWWDGLL-UHFFFAOYSA-N
InChI=1S/C11H11ClN2O4S/c1-6-3-8(19(16,17)18)5-9(12)11(6)14-10(15)4-7(2)13-14/h3,5H,4H2,1-2H3,(H,16,17,18)

HIDE SMILES / InChI

Molecular Formula C11H11ClN2O4S
Molecular Weight 302.734
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 Sat Dec 16 13:09:14 GMT 2023
Edited
by admin
on Sat Dec 16 13:09:14 GMT 2023
Record UNII
V9M2JD54UR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulfonic acid
Systematic Name English
Benzenesulfonic acid, 3-chloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-5-methyl-
Systematic Name English
3-Chloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-5-methylbenzenesulfonic acid
Systematic Name English
3-Chloro-5-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90213384
Created by admin on Sat Dec 16 13:09:14 GMT 2023 , Edited by admin on Sat Dec 16 13:09:14 GMT 2023
PRIMARY
CAS
6387-17-3
Created by admin on Sat Dec 16 13:09:14 GMT 2023 , Edited by admin on Sat Dec 16 13:09:14 GMT 2023
PRIMARY
FDA UNII
V9M2JD54UR
Created by admin on Sat Dec 16 13:09:14 GMT 2023 , Edited by admin on Sat Dec 16 13:09:14 GMT 2023
PRIMARY
PUBCHEM
80804
Created by admin on Sat Dec 16 13:09:14 GMT 2023 , Edited by admin on Sat Dec 16 13:09:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
228-991-7
Created by admin on Sat Dec 16 13:09:14 GMT 2023 , Edited by admin on Sat Dec 16 13:09:14 GMT 2023
PRIMARY