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Details

Stereochemistry ACHIRAL
Molecular Formula C16H31N2.C2F6NO4S2
Molecular Weight 531.577
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Dodecyl-3-methylimidazolium bis(trifluoromethylsufonyl)imide

SMILES

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

InChI

InChIKey=RJCNRVFKCLDBEC-UHFFFAOYSA-N
InChI=1S/C16H31N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h14-16H,3-13H2,1-2H3;/q+1;-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 C2HF6NO4S2
Molecular Weight 281.154
Charge 0
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 23:26:46 GMT 2025
Edited
by admin
on Mon Mar 31 23:26:46 GMT 2025
Record UNII
8B4W9M5MEJ
Record Status Validated (UNII)
Record Version
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Name Type Language
1-Dodecyl-3-methylimidazolium bis(trifluoromethylsufonyl)imide
Common Name English
1H-Imidazolium, 3-dodecyl-1-methyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)
Preferred Name English
Code System Code Type Description
PUBCHEM
53316407
Created by admin on Mon Mar 31 23:26:46 GMT 2025 , Edited by admin on Mon Mar 31 23:26:46 GMT 2025
PRIMARY
CAS
404001-48-5
Created by admin on Mon Mar 31 23:26:46 GMT 2025 , Edited by admin on Mon Mar 31 23:26:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID4047917
Created by admin on Mon Mar 31 23:26:46 GMT 2025 , Edited by admin on Mon Mar 31 23:26:46 GMT 2025
PRIMARY
FDA UNII
8B4W9M5MEJ
Created by admin on Mon Mar 31 23:26:46 GMT 2025 , Edited by admin on Mon Mar 31 23:26:46 GMT 2025
PRIMARY
Related Record Type Details
IONIC MOIETY
PARENT -> SALT/SOLVATE