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Details

Stereochemistry ACHIRAL
Molecular Formula C11H16N5O.F6P
Molecular Weight 379.2418
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-(BENZOTRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE

SMILES

F[P-](F)(F)(F)(F)F.CN(C)C(N(C)C)=[N+]1N=[N+]([O-])C2=CC=CC=C12

InChI

InChIKey=BSKUEERROYGAFF-UHFFFAOYSA-N
InChI=1S/C11H16N5O.F6P/c1-13(2)11(14(3)4)15-9-7-5-6-8-10(9)16(17)12-15;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1

HIDE SMILES / InChI

Molecular Formula C11H16N5O
Molecular Weight 234.2776
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 F6P
Molecular Weight 144.9642
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
X5I03TZQ8D
Record Status Validated (UNII)
Record Version