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Details

Stereochemistry ACHIRAL
Molecular Formula C25H54N.CF3O3S
Molecular Weight 517.772
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLTRICAPRYLYLAMMONIUM TRIFLATE

SMILES

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

InChI

InChIKey=WYNCDLDEWVNKJX-UHFFFAOYSA-M
InChI=1S/C25H54N.CHF3O3S/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;2-1(3,4)8(5,6)7/h5-25H2,1-4H3;(H,5,6,7)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula CF3O3S
Molecular Weight 149.069
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C25H54N
Molecular Weight 368.703
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
0LD8B8W58Y
Record Status Validated (UNII)
Record Version