3-ETHYL-2-METHYL-5-SULPHONATOBENZOXAZOLIUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H11NO4S
Molecular Weight	241.264
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-ETHYL-2-METHYL-5-SULPHONATOBENZOXAZOLIUM

Structure Search

SMILES

CC[N+]1=C(C)OC2=C1C=C(C=C2)S([O-])(=O)=O

InChI

InChIKey=ALUDXYYRAJGCDC-UHFFFAOYSA-N

InChI=1S/C10H11NO4S/c1-3-11-7(2)15-10-5-4-8(6-9(10)11)16(12,13)14/h4-6H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H11NO4S
Molecular Weight	241.264
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 12:24:56 GMT 2023` Edited by `admin` on `Sat Dec 16 12:24:56 GMT 2023`
Record UNII	RG8C57O2G9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-ETHYL-2-METHYL-5-SULPHONATOBENZOXAZOLIUM

Systematic Name

English

BENZOXAZOLIUM, 3-ETHYL-2-METHYL-5-SULFO-, INNER SALT

Common Name

English

Code System Code Type Description

CAS

63148-99-2

Created by admin on Sat Dec 16 12:24:56 GMT 2023 , Edited by admin on Sat Dec 16 12:24:56 GMT 2023

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EPA CompTox

DTXSID3069726

Created by admin on Sat Dec 16 12:24:56 GMT 2023 , Edited by admin on Sat Dec 16 12:24:56 GMT 2023

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PUBCHEM

113074

Created by admin on Sat Dec 16 12:24:56 GMT 2023 , Edited by admin on Sat Dec 16 12:24:56 GMT 2023

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FDA UNII

RG8C57O2G9

Created by admin on Sat Dec 16 12:24:56 GMT 2023 , Edited by admin on Sat Dec 16 12:24:56 GMT 2023

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ECHA (EC/EINECS)

263-948-6

Created by admin on Sat Dec 16 12:24:56 GMT 2023 , Edited by admin on Sat Dec 16 12:24:56 GMT 2023

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