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Details

Stereochemistry ACHIRAL
Molecular Formula C16H31N2.CF3O3S
Molecular Weight 400.5
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Dodecyl-3-methylimidazolium trifluoromethylsulfonate

SMILES

[O-]S(=O)(=O)C(F)(F)F.CCCCCCCCCCCCN1C=C[N+](C)=C1

InChI

InChIKey=RSNWMNCQEJIOHL-UHFFFAOYSA-M
InChI=1S/C16H31N2.CHF3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;2-1(3,4)8(5,6)7/h14-16H,3-13H2,1-2H3;(H,5,6,7)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C16H31N2
Molecular Weight 251.4307
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CF3O3S
Molecular Weight 149.069
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 23:40:56 GMT 2025
Edited
by admin
on Mon Mar 31 23:40:56 GMT 2025
Record UNII
J4FK8825Z8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Imidazolium, 3-dodecyl-1-methyl-, 1,1,1-trifluoromethanesulfonate (1:1)
Preferred Name English
1-Dodecyl-3-methylimidazolium trifluoromethylsulfonate
Systematic Name English
Code System Code Type Description
PUBCHEM
23160059
Created by admin on Mon Mar 31 23:40:56 GMT 2025 , Edited by admin on Mon Mar 31 23:40:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID9049299
Created by admin on Mon Mar 31 23:40:56 GMT 2025 , Edited by admin on Mon Mar 31 23:40:56 GMT 2025
PRIMARY
CAS
404001-52-1
Created by admin on Mon Mar 31 23:40:56 GMT 2025 , Edited by admin on Mon Mar 31 23:40:56 GMT 2025
PRIMARY
FDA UNII
J4FK8825Z8
Created by admin on Mon Mar 31 23:40:56 GMT 2025 , Edited by admin on Mon Mar 31 23:40:56 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE