1-Methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate

CAS Registry Number®

1588522-06-8
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CAS Name

1-Methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate

Molecular Formula

C16H10F9N3O3S

Molecular Mass

495.32

Cite this Page

1-Methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1588522-06-8 (retrieved 2024-09-10) (CAS RN: 1588522-06-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H10F9N3O3S/c1-8-26-27-12-7-6-11(9-4-2-3-5-10(9)28(8)12)31-32(29,30)16(24,25)14(19,20)13(17,18)15(21,22)23/h2-6H,7H2,1H3

InChIKey

InChIKey=AYQOWJCWAQIBSR-UHFFFAOYSA-N

SMILES

CC=1N2C=3C(C(OS(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(=O)=O)=CCC2=NN1)=CC=CC3

Canonical SMILES

O=S(=O)(OC1=CCC2=NN=C(N2C=3C=CC=CC13)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Other Names for this Substance

  • 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, 1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-yl ester
  • 1-Methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-yl 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate