5-CHLORO-2-(2-ETHOXYBUT-1-ENYL)-3-(3-SULPHONATOPROPYL)BENZOXAZOLIUM

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H20ClNO5S
Molecular Weight	373.852
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 5-CHLORO-2-(2-ETHOXYBUT-1-ENYL)-3-(3-SULPHONATOPROPYL)BENZOXAZOLIUM

Structure Search

SMILES

CCOC(CC)=CC1=[N+](CCCS([O-])(=O)=O)C2=C(O1)C=CC(Cl)=C2

InChI

InChIKey=VWMFWTUKPDOUCL-UHFFFAOYSA-N

InChI=1S/C16H20ClNO5S/c1-3-13(22-4-2)11-16-18(8-5-9-24(19,20)21)14-10-12(17)6-7-15(14)23-16/h6-7,10-11H,3-5,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C16H20ClNO5S
Molecular Weight	373.852
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:22:50 GMT 2025` Edited by `admin` on `Wed Apr 02 09:22:50 GMT 2025`
Record UNII	J97JL651P4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOXAZOLIUM, 5-CHLORO-2-(2-ETHOXY-1-BUTENYL)-3-(3-SULFOPROPYL)-, INNER SALT

Preferred Name

English

5-CHLORO-2-(2-ETHOXYBUT-1-ENYL)-3-(3-SULPHONATOPROPYL)BENZOXAZOLIUM

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

263-941-8

Created by admin on Wed Apr 02 09:22:50 GMT 2025 , Edited by admin on Wed Apr 02 09:22:50 GMT 2025

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EPA CompTox

DTXSID8069723

Created by admin on Wed Apr 02 09:22:50 GMT 2025 , Edited by admin on Wed Apr 02 09:22:50 GMT 2025

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PUBCHEM

112598

Created by admin on Wed Apr 02 09:22:50 GMT 2025 , Edited by admin on Wed Apr 02 09:22:50 GMT 2025

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FDA UNII

J97JL651P4

Created by admin on Wed Apr 02 09:22:50 GMT 2025 , Edited by admin on Wed Apr 02 09:22:50 GMT 2025

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CAS

63148-89-0

Created by admin on Wed Apr 02 09:22:50 GMT 2025 , Edited by admin on Wed Apr 02 09:22:50 GMT 2025

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