| SpectraBase Spectrum ID |
8MzuODIRTB1 |
| Name |
alpha,alpha,alpha,alpha',alpha',alpha'-N-[2-Nitro-2-(p-tolylsulfonyl)vinyl]-3,5-xylidine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.042197022 u |
| Formula |
C17H12F6N2O4S |
| InChI |
InChI=1S/C17H12F6N2O4S/c1-10-2-4-14(5-3-10)30(28,29)15(25(26)27)9-24-13-7-11(16(18,19)20)6-12(8-13)17(21,22)23/h2-9,24H,1H3 |
| InChIKey |
GGQKFVFQAIGCJK-UHFFFAOYSA-N |
| Molecular Weight |
454.343 g/mol |
| SMILES |
N(C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)C=C(S(=O)(=O)C=1C=CC(=CC1)C)N(=O)=O |
![alpha,alpha,alpha,alpha',alpha',alpha'-N-[2-nitro-2-(p-tolylsulfonyl)vinyl]-3,5-xylidine](/api/spectrum/8MzuODIRTB1/structure.png?h=300&w=458 "alpha,alpha,alpha,alpha',alpha',alpha'-N-[2-nitro-2-(p-tolylsulfonyl)vinyl]-3,5-xylidine")
