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Details

Stereochemistry ACHIRAL
Molecular Formula C12H23N2.CF3O3S
Molecular Weight 344.394
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methyl-3-octylimidazolium trifluoromethanesulfonate

SMILES

[O-]S(=O)(=O)C(F)(F)F.CCCCCCCCN1C=C[N+](C)=C1

InChI

InChIKey=BCVMAYRUJBXMAP-UHFFFAOYSA-M
InChI=1S/C12H23N2.CHF3O3S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)8(5,6)7/h10-12H,3-9H2,1-2H3;(H,5,6,7)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C12H23N2
Molecular Weight 195.3244
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 23:40:33 GMT 2025
Edited
by admin
on Mon Mar 31 23:40:33 GMT 2025
Record UNII
79MAJ4P5LE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Imidazolium, 1-methyl-3-octyl-, 1,1,1-trifluoromethanesulfonate (1:1)
Preferred Name English
1-Methyl-3-octylimidazolium trifluoromethanesulfonate
Systematic Name English
Code System Code Type Description
FDA UNII
79MAJ4P5LE
Created by admin on Mon Mar 31 23:40:33 GMT 2025 , Edited by admin on Mon Mar 31 23:40:33 GMT 2025
PRIMARY
PUBCHEM
16212746
Created by admin on Mon Mar 31 23:40:33 GMT 2025 , Edited by admin on Mon Mar 31 23:40:33 GMT 2025
PRIMARY
CAS
403842-84-2
Created by admin on Mon Mar 31 23:40:33 GMT 2025 , Edited by admin on Mon Mar 31 23:40:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID1047946
Created by admin on Mon Mar 31 23:40:33 GMT 2025 , Edited by admin on Mon Mar 31 23:40:33 GMT 2025
PRIMARY
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