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Details

Stereochemistry ACHIRAL
Molecular Formula C18H38NO2.C2H5O4S
Molecular Weight 425.624
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Triethyl(2-((1-oxodecyl)oxy)ethyl)ammonium ethyl sulfate

SMILES

CCOS([O-])(=O)=O.CCCCCCCCCC(=O)OCC[N+](CC)(CC)CC

InChI

InChIKey=FJDKBYFACUUWKN-UHFFFAOYSA-M
InChI=1S/C18H38NO2.C2H6O4S/c1-5-9-10-11-12-13-14-15-18(20)21-17-16-19(6-2,7-3)8-4;1-2-6-7(3,4)5/h5-17H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C18H38NO2
Molecular Weight 300.4998
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H5O4S
Molecular Weight 125.124
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 11:56:46 GMT 2023
Edited
by admin
on Sat Dec 16 11:56:46 GMT 2023
Record UNII
4KWF392PSU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Triethyl(2-((1-oxodecyl)oxy)ethyl)ammonium ethyl sulfate
Systematic Name English
Ethanaminium, N,N,N-triethyl-2-[(1-oxodecyl)oxy]-, ethyl sulfate
Common Name English
Triethyl(2-((1-oxodecyl)oxy)ethyl)ammonium ethyl sulphate
Systematic Name English
Ethanaminium, N,N,N-triethyl-2-[(1-oxodecyl)oxy]-, ethyl sulfate (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70243422
Created by admin on Sat Dec 16 11:56:46 GMT 2023 , Edited by admin on Sat Dec 16 11:56:46 GMT 2023
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FDA UNII
4KWF392PSU
Created by admin on Sat Dec 16 11:56:46 GMT 2023 , Edited by admin on Sat Dec 16 11:56:46 GMT 2023
PRIMARY
ECHA (EC/EINECS)
308-459-1
Created by admin on Sat Dec 16 11:56:46 GMT 2023 , Edited by admin on Sat Dec 16 11:56:46 GMT 2023
PRIMARY
PUBCHEM
3025064
Created by admin on Sat Dec 16 11:56:46 GMT 2023 , Edited by admin on Sat Dec 16 11:56:46 GMT 2023
PRIMARY
CAS
98072-10-7
Created by admin on Sat Dec 16 11:56:46 GMT 2023 , Edited by admin on Sat Dec 16 11:56:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE