SODIUM 2-CYANO-5-ETHOXYBENZENESULFONATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H8NO4S.Na
Molecular Weight	249.219
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 2-CYANO-5-ETHOXYBENZENESULFONATE

Structure Search

SMILES

[Na+].CCOC1=CC=C(C#N)C(=C1)S([O-])(=O)=O

InChI

InChIKey=ROVCHLIPMLVMLL-UHFFFAOYSA-M

InChI=1S/C9H9NO4S.Na/c1-2-14-8-4-3-7(6-10)9(5-8)15(11,12)13;/h3-5H,2H2,1H3,(H,11,12,13);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C9H8NO4S
Molecular Weight	226.229
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
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 `Tue Apr 01 18:48:43 GMT 2025` Edited by `admin` on `Tue Apr 01 18:48:43 GMT 2025`
Record UNII	XFD11XH3HP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 2-CYANO-5-ETHOXYBENZENESULFONATE

Systematic Name

English

BENZENESULFONIC ACID, 2-CYANO-5-ETHOXY-, SODIUM SALT (1:1)

Preferred Name

English

Code System Code Type Description

FDA UNII

XFD11XH3HP

Created by admin on Tue Apr 01 18:48:43 GMT 2025 , Edited by admin on Tue Apr 01 18:48:43 GMT 2025

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EPA CompTox

DTXSID50240878

Created by admin on Tue Apr 01 18:48:43 GMT 2025 , Edited by admin on Tue Apr 01 18:48:43 GMT 2025

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ECHA (EC/EINECS)

303-236-5

Created by admin on Tue Apr 01 18:48:43 GMT 2025 , Edited by admin on Tue Apr 01 18:48:43 GMT 2025

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PUBCHEM

23662628

Created by admin on Tue Apr 01 18:48:43 GMT 2025 , Edited by admin on Tue Apr 01 18:48:43 GMT 2025

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CAS

94159-55-4

Created by admin on Tue Apr 01 18:48:43 GMT 2025 , Edited by admin on Tue Apr 01 18:48:43 GMT 2025

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