3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID

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NCATS

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-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID

Structure Search

SMILES

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

InChI

InChIKey=JTGUAOMMAPTQIS-UHFFFAOYSA-N

InChI=1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)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

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:15:42 GMT 2023` Edited by `admin` on `Sat Dec 16 02:15:42 GMT 2023`
Record UNII	6761OLY7MK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID

Systematic Name

English

(3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)BENZENESULFONIC ACID, M-

Common Name

English

1-(3'-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE

Systematic Name

English

BENZENESULFONIC ACID, 3-(5-HYDROXY-3-METHYL-1H-PYRAZOL-1-YL)-

Systematic Name

English

NSC-15354

Code

English

NSC-50668

Code

English

BENZENESULFONIC ACID, 3-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-

Systematic Name

English

Code System Code Type Description

NSC

50668

Created by admin on Sat Dec 16 02:15:42 GMT 2023 , Edited by admin on Sat Dec 16 02:15:42 GMT 2023

PRIMARY

ECHA (EC/EINECS)

204-303-0

Created by admin on Sat Dec 16 02:15:42 GMT 2023 , Edited by admin on Sat Dec 16 02:15:42 GMT 2023

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EPA CompTox

DTXSID0044785

Created by admin on Sat Dec 16 02:15:42 GMT 2023 , Edited by admin on Sat Dec 16 02:15:42 GMT 2023

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PUBCHEM

67060

Created by admin on Sat Dec 16 02:15:42 GMT 2023 , Edited by admin on Sat Dec 16 02:15:42 GMT 2023

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CAS

1206702-04-6

Created by admin on Sat Dec 16 02:15:42 GMT 2023 , Edited by admin on Sat Dec 16 02:15:42 GMT 2023

ALTERNATIVE

CAS

119-17-5

Created by admin on Sat Dec 16 02:15:42 GMT 2023 , Edited by admin on Sat Dec 16 02:15:42 GMT 2023

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NSC

15354

Created by admin on Sat Dec 16 02:15:42 GMT 2023 , Edited by admin on Sat Dec 16 02:15:42 GMT 2023

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FDA UNII

6761OLY7MK

Created by admin on Sat Dec 16 02:15:42 GMT 2023 , Edited by admin on Sat Dec 16 02:15:42 GMT 2023

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