ETHYL PYRAZOLONE T

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12N2O6S
Molecular Weight	312.298
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL PYRAZOLONE T

Structure Search

SMILES

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

InChI

InChIKey=SLIRKONJUJKOBN-UHFFFAOYSA-N

InChI=1S/C12H12N2O6S/c1-2-20-12(16)10-7-11(15)14(13-10)8-3-5-9(6-4-8)21(17,18)19/h3-7,15H,2H2,1H3,(H,17,18,19)

HIDE SMILES / InChI

Molecular Formula	C12H12N2O6S
Molecular Weight	312.298
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 `Fri Dec 15 19:43:58 GMT 2023` Edited by `admin` on `Fri Dec 15 19:43:58 GMT 2023`
Record UNII	01I9ZBY9IR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL PYRAZOLONE T

Common Name

English

2-PYRAZOLINE-3-CARBOXYLIC ACID, 5-OXO-1-(P-SULFOPHENYL)-, ETHYL ESTER

Common Name

English

1H-PYRAZOLE-3-CARBOXYLIC ACID, 5-HYDROXY-1-(4-SULFOPHENYL)-, 3-ETHYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

354768-43-7

Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023

ALTERNATIVE

EPA CompTox

DTXSID2064311

Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023

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FDA UNII

01I9ZBY9IR

Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023

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CAS

6402-06-8

Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023

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PUBCHEM

80814

Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023

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ECHA (EC/EINECS)

229-016-8

Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023

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