| SpectraBase Spectrum ID |
D7RT83j1kNN |
| Name |
(E)-3-[3,5-bis(Trifluoromethyl)anilino]-2-(2-chlorophenyl)sulfonyl-2-propenenitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.997745388 u |
| Formula |
C17H9ClF6N2O2S |
| InChI |
InChI=1S/C17H9ClF6N2O2S/c18-14-3-1-2-4-15(14)29(27,28)13(8-25)9-26-12-6-10(16(19,20)21)5-11(7-12)17(22,23)24/h1-7,9,26H/b13-9+ |
| InChIKey |
QIOSIKFRRAOTCM-UKTHLTGXSA-N |
| Molecular Weight |
454.774 g/mol |
| SMILES |
C1=CC=C(S(\C(=C\NC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C#N)(=O)=O)C(Cl)=C1 |
![(E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorophenyl)sulfonyl-2-propenenitrile](/api/spectrum/D7RT83j1kNN/structure.png?h=300&w=458 "(E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorophenyl)sulfonyl-2-propenenitrile")
