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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

SMILES

[Na+].CC1=C(OCCOS([O-])(=O)=O)C=CC(Cl)=C1

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 C9H10ClO5S
Molecular Weight 265.691
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 Mon Mar 31 22:10:16 GMT 2025
Edited
by admin
on Mon Mar 31 22:10:16 GMT 2025
Record UNII
ITI1AGH247
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHANOL, 2-(4-CHLORO-2-METHYLPHENOXY)-, HYDROGEN SULFATE, SODIUM SALT
Preferred Name English
SODIUM 2-((4-CHLORO-O-TOLYL)OXY)ETHYL SULFATE
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 216600
Created by admin on Mon Mar 31 22:10:16 GMT 2025 , Edited by admin on Mon Mar 31 22:10:16 GMT 2025
Code System Code Type Description
CAS
5903-06-0
Created by admin on Mon Mar 31 22:10:16 GMT 2025 , Edited by admin on Mon Mar 31 22:10:16 GMT 2025
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FDA UNII
ITI1AGH247
Created by admin on Mon Mar 31 22:10:16 GMT 2025 , Edited by admin on Mon Mar 31 22:10:16 GMT 2025
PRIMARY
PUBCHEM
44154938
Created by admin on Mon Mar 31 22:10:16 GMT 2025 , Edited by admin on Mon Mar 31 22:10:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID00897250
Created by admin on Mon Mar 31 22:10:16 GMT 2025 , Edited by admin on Mon Mar 31 22:10:16 GMT 2025
PRIMARY