Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H12N2O4S
Molecular Weight	268.289
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-

Structure Search

SMILES

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

InChI

InChIKey=AJPUJTAMBSRTEG-UHFFFAOYSA-N

InChI=1S/C11H12N2O4S/c1-7-5-9(18(15,16)17)3-4-10(7)13-11(14)6-8(2)12-13/h3-5H,6H2,1-2H3,(H,15,16,17)

HIDE SMILES / InChI

Molecular Formula	C11H12N2O4S
Molecular Weight	268.289
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 `Tue Apr 01 19:22:11 GMT 2025` Edited by `admin` on `Tue Apr 01 19:22:11 GMT 2025`
Record UNII	Q6QEW9473J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-

Systematic Name

English

4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methylbenzenesulfonic acid

Preferred Name

English

Code System Code Type Description

PUBCHEM

67038

Created by admin on Tue Apr 01 19:22:11 GMT 2025 , Edited by admin on Tue Apr 01 19:22:11 GMT 2025

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EPA CompTox

DTXSID4059467

Created by admin on Tue Apr 01 19:22:11 GMT 2025 , Edited by admin on Tue Apr 01 19:22:11 GMT 2025

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ECHA (EC/EINECS)

204-232-5

Created by admin on Tue Apr 01 19:22:11 GMT 2025 , Edited by admin on Tue Apr 01 19:22:11 GMT 2025

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FDA UNII

Q6QEW9473J

Created by admin on Tue Apr 01 19:22:11 GMT 2025 , Edited by admin on Tue Apr 01 19:22:11 GMT 2025

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CAS

118-07-0

Created by admin on Tue Apr 01 19:22:11 GMT 2025 , Edited by admin on Tue Apr 01 19:22:11 GMT 2025

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