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Details

Stereochemistry ACHIRAL
Molecular Formula C10H7N2O6S.Na
Molecular Weight 306.227
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRAZOLONE T MONOSODIUM

SMILES

[Na+].OC(=O)C1=NN(C(O)=C1)C2=CC=C(C=C2)S([O-])(=O)=O

InChI

InChIKey=FIIRXMASAAYXSO-UHFFFAOYSA-M
InChI=1S/C10H8N2O6S.Na/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;/h1-5,13H,(H,14,15)(H,16,17,18);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H7N2O6S
Molecular Weight 283.237
Charge -1
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 Fri Dec 15 19:09:33 GMT 2023
Edited
by admin
on Fri Dec 15 19:09:33 GMT 2023
Record UNII
Q7G7LA4X9P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRAZOLONE T MONOSODIUM
Common Name English
1H-PYRAZOLE-3-CARBOXYLIC ACID, 5-HYDROXY-1-(4-SULFOPHENYL)-, SODIUM SALT (1:1)
Systematic Name English
1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-, SODIUM SALT (1:1)
Systematic Name English
1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-, MONOSODIUM SALT
Systematic Name English
SODIUM 1-(4-SULFOPHENYL)-5-PYRAZOLONE-3-CARBOXYLATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
257-677-2
Created by admin on Fri Dec 15 19:09:33 GMT 2023 , Edited by admin on Fri Dec 15 19:09:33 GMT 2023
PRIMARY
FDA UNII
Q7G7LA4X9P
Created by admin on Fri Dec 15 19:09:33 GMT 2023 , Edited by admin on Fri Dec 15 19:09:33 GMT 2023
PRIMARY
PUBCHEM
23698183
Created by admin on Fri Dec 15 19:09:33 GMT 2023 , Edited by admin on Fri Dec 15 19:09:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID2044684
Created by admin on Fri Dec 15 19:09:33 GMT 2023 , Edited by admin on Fri Dec 15 19:09:33 GMT 2023
PRIMARY
CAS
2241004-80-6
Created by admin on Fri Dec 15 19:09:33 GMT 2023 , Edited by admin on Fri Dec 15 19:09:33 GMT 2023
ALTERNATIVE
CAS
52126-51-9
Created by admin on Fri Dec 15 19:09:33 GMT 2023 , Edited by admin on Fri Dec 15 19:09:33 GMT 2023
PRIMARY
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