| SpectraBase Spectrum ID |
4Dr7E2ysQ1n |
| Name |
2-{4-[(4-tert-Butylphenyl)ethynyl]phenylsulfonyl}phenyl trifluoromethanesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H21F3O5S2 |
| InChI |
InChI=1S/C25H21F3O5S2/c1-24(2,3)20-14-10-18(11-15-20)8-9-19-12-16-21(17-13-19)34(29,30)23-7-5-4-6-22(23)33-35(31,32)25(26,27)28/h4-7,10-17H,1-3H3 |
| InChIKey |
XVAVNZLQHKIULU-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/cctc.201100257 |
| Molecular Weight |
522.553 g/mol |
| SMILES |
c1(c(cccc1)S(c1ccc(cc1)C#Cc1ccc(cc1)C(C)(C)C)(=O)=O)OS(C(F)(F)F)(=O)=O |
| SPLASH |
splash10-0006-9000000000-577a2a9c4e34a2e44f05 |
| Source of Spectrum |
CCC-4-356/SM11-9b |
| Synonyms |
2-((4-((4-(tert-butyl)phenyl)ethynyl)phenyl)sulfonyl)phenyl trifluoromethanesulfonate |
| Wiley ID |
1788889 |
![2-{4-[(4-tert-Butylphenyl)ethynyl]phenylsulfonyl}phenyl trifluoromethanesulfonate](/api/spectrum/4Dr7E2ysQ1n/structure.png?h=300&w=458 "2-{4-[(4-tert-Butylphenyl)ethynyl]phenylsulfonyl}phenyl trifluoromethanesulfonate")
