| SpectraBase Spectrum ID |
BWcofS0UwJl |
| Name |
4-Tert-butyl-benzenesulfonic acid 4-(3,5-dichloro-pyridin-2-yloxy)-phenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.041184666 u |
| Formula |
C21H19Cl2NO4S |
| InChI |
InChI=1S/C21H19Cl2NO4S/c1-21(2,3)14-4-10-18(11-5-14)29(25,26)28-17-8-6-16(7-9-17)27-20-19(23)12-15(22)13-24-20/h4-13H,1-3H3 |
| InChIKey |
OUUWEHKSZORVEL-UHFFFAOYSA-N |
| Molecular Weight |
452.352 g/mol |
| SMILES |
CC(C1=CC=C(S(OC2=CC=C(OC=3N=CC(=CC3Cl)Cl)C=C2)(=O)=O)C=C1)(C)C |
