SODIUM 2-((4-CHLORO-O-TOLYL)OXY)ETHYL SULFATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H10ClO5S.Na
Molecular Weight	288.68
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 2-((4-CHLORO-O-TOLYL)OXY)ETHYL SULFATE

Structure Search

SMILES

[Na+].CC1=CC(Cl)=CC=C1OCCOS([O-])(=O)=O

InChI

InChIKey=NBRGTUMGLPFCHB-UHFFFAOYSA-M

InChI=1S/C9H11ClO5S.Na/c1-7-6-8(10)2-3-9(7)14-4-5-15-16(11,12)13;/h2-3,6H,4-5H2,1H3,(H,11,12,13);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C9H10ClO5S
Molecular Weight	265.691
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 `Sat Dec 16 08:33:42 GMT 2023` Edited by `admin` on `Sat Dec 16 08:33:42 GMT 2023`
Record UNII	ITI1AGH247
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 2-((4-CHLORO-O-TOLYL)OXY)ETHYL SULFATE

Common Name

English

ETHANOL, 2-(4-CHLORO-2-METHYLPHENOXY)-, HYDROGEN SULFATE, SODIUM SALT

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

216600

Created by admin on Sat Dec 16 08:33:42 GMT 2023 , Edited by admin on Sat Dec 16 08:33:42 GMT 2023

Code System Code Type Description

CAS

5903-06-0

Created by admin on Sat Dec 16 08:33:42 GMT 2023 , Edited by admin on Sat Dec 16 08:33:42 GMT 2023

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FDA UNII

ITI1AGH247

Created by admin on Sat Dec 16 08:33:42 GMT 2023 , Edited by admin on Sat Dec 16 08:33:42 GMT 2023

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PUBCHEM

44154938

Created by admin on Sat Dec 16 08:33:42 GMT 2023 , Edited by admin on Sat Dec 16 08:33:42 GMT 2023

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EPA CompTox

DTXSID00897250

Created by admin on Sat Dec 16 08:33:42 GMT 2023 , Edited by admin on Sat Dec 16 08:33:42 GMT 2023

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