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Details

Stereochemistry ACHIRAL
Molecular Formula C10H10N2O4S
Molecular Weight 254.262
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-1-PHENYL-5-PYRAZOLONE-4'-SULFONIC ACID

SMILES

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

InChI

InChIKey=RQCYWGBUFRPHJH-UHFFFAOYSA-N
InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-6,13H,1H3,(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula C10H10N2O4S
Molecular Weight 254.262
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 12:14:08 GMT 2023
Edited
by admin
on Sat Dec 16 12:14:08 GMT 2023
Record UNII
60DZB69URT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-1-PHENYL-5-PYRAZOLONE-4'-SULFONIC ACID
Common Name English
1-(4'-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE
Common Name English
NSC-26429
Code English
3-METHYL-1-(4'-SULFOPHENYL)-5-PYRAZOLONE
Common Name English
1-(4-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE
Systematic Name English
BENZENESULFONIC ACID, 4-(5-HYDROXY-3-METHYL-1H-PYRAZOL-1-YL)-
Systematic Name English
BENZENESULFONIC ACID, 4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-
Systematic Name English
4-(3-METHYL-5-OXO-4,5-DIHYDROPYRAZOL-1-YL) BENZENESULFONIC ACID
Systematic Name English
NSC-2642
Code English
3-METHYL-1-(P-SULFOPHENYL)-5-PYRAZOLONE
Common Name English
1-(P-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE
Common Name English
3-METHYL-1-(P-SULFOPHENYL)-2-PYRAZOLIN-5-ONE
Common Name English
3-METHYL-1-(4-SULFOPHENYL)PYRAZOLIN-5-ONE
Systematic Name English
NSC-4752
Code English
PYRAZOLINE G
Common Name English
3-METHYL-1-(4-SULFOPHENYL)-5-PYRAZOLONE
Systematic Name English
4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID
Systematic Name English
1-(P-SULFOPHENYL)-3-METHYLPYRAZOLIN-5-ONE
Common Name English
BENZENESULFONIC ACID, P-(3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)-
Systematic Name English
P-(3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)BENZENESULFONIC ACID
Common Name English
Code System Code Type Description
CAS
408316-94-9
Created by admin on Sat Dec 16 12:14:08 GMT 2023 , Edited by admin on Sat Dec 16 12:14:08 GMT 2023
ALTERNATIVE
NSC
26429
Created by admin on Sat Dec 16 12:14:08 GMT 2023 , Edited by admin on Sat Dec 16 12:14:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-901-3
Created by admin on Sat Dec 16 12:14:08 GMT 2023 , Edited by admin on Sat Dec 16 12:14:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID0044999
Created by admin on Sat Dec 16 12:14:08 GMT 2023 , Edited by admin on Sat Dec 16 12:14:08 GMT 2023
PRIMARY
FDA UNII
60DZB69URT
Created by admin on Sat Dec 16 12:14:08 GMT 2023 , Edited by admin on Sat Dec 16 12:14:08 GMT 2023
PRIMARY
PUBCHEM
66638
Created by admin on Sat Dec 16 12:14:08 GMT 2023 , Edited by admin on Sat Dec 16 12:14:08 GMT 2023
PRIMARY
NSC
2642
Created by admin on Sat Dec 16 12:14:08 GMT 2023 , Edited by admin on Sat Dec 16 12:14:08 GMT 2023
PRIMARY
NSC
4752
Created by admin on Sat Dec 16 12:14:08 GMT 2023 , Edited by admin on Sat Dec 16 12:14:08 GMT 2023
PRIMARY
CAS
89-36-1
Created by admin on Sat Dec 16 12:14:08 GMT 2023 , Edited by admin on Sat Dec 16 12:14:08 GMT 2023
PRIMARY