N-ETHYL-5-PHENYLISOXAZOLIUM-3'-SULFONATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H11NO4S
Molecular Weight	253.274
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-ETHYL-5-PHENYLISOXAZOLIUM-3'-SULFONATE

Structure Search

SMILES

CC[N+]1=CC=C(O1)C2=CC(=CC=C2)S([O-])(=O)=O

InChI

InChIKey=MWOOKDULMBMMPN-UHFFFAOYSA-N

InChI=1S/C11H11NO4S/c1-2-12-7-6-11(16-12)9-4-3-5-10(8-9)17(13,14)15/h3-8H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H11NO4S
Molecular Weight	253.274
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 18:12:18 GMT 2023` Edited by `admin` on `Fri Dec 15 18:12:18 GMT 2023`
Record UNII	3BN309R76H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-ETHYL-5-PHENYLISOXAZOLIUM-3'-SULFONATE

Common Name

English

NSC-82643

Code

English

2-ETHYL-5-(3-SULFOPHENYL)ISOXAZOLIUM INNER SALT

Common Name

English

WOODWARD'S REAGENT K

Common Name

English

WOODWARD'S REAGENT K [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m11518

Created by admin on Fri Dec 15 18:12:18 GMT 2023 , Edited by admin on Fri Dec 15 18:12:18 GMT 2023

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Merck Index

ECHA (EC/EINECS)

223-988-7

Created by admin on Fri Dec 15 18:12:18 GMT 2023 , Edited by admin on Fri Dec 15 18:12:18 GMT 2023

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NSC

82643

Created by admin on Fri Dec 15 18:12:18 GMT 2023 , Edited by admin on Fri Dec 15 18:12:18 GMT 2023

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FDA UNII

3BN309R76H

Created by admin on Fri Dec 15 18:12:18 GMT 2023 , Edited by admin on Fri Dec 15 18:12:18 GMT 2023

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EPA CompTox

DTXSID80194411

Created by admin on Fri Dec 15 18:12:18 GMT 2023 , Edited by admin on Fri Dec 15 18:12:18 GMT 2023

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PUBCHEM

77804

Created by admin on Fri Dec 15 18:12:18 GMT 2023 , Edited by admin on Fri Dec 15 18:12:18 GMT 2023

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CAS

4156-16-5

Created by admin on Fri Dec 15 18:12:18 GMT 2023 , Edited by admin on Fri Dec 15 18:12:18 GMT 2023

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