| SpectraBase Spectrum ID |
8BOz4ct9NDD |
| Name |
2-(4-Chloro-N-methylbenzamido)-4,5,6,7-tetrahydrobenzo[d]isothiazol-2-ium trifluoromethanesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16ClF3N2O4S2 |
| InChI |
InChI=1S/C15H16ClN2OS.CHF3O3S/c1-17(15(19)11-6-8-13(16)9-7-11)18-10-12-4-2-3-5-14(12)20-18;2-1(3,4)8(5,6)7/h6-10H,2-5H2,1H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey |
ZBJGNWQZAATAJN-UHFFFAOYSA-M |
| Literature Reference DOI |
10.1002/prac.19943360204 |
| Molecular Weight |
456.882 g/mol |
| SMILES |
C(S([O-])(=O)=O)(F)(F)F.C1Cc2c(CC1)s[n+](c2)N(C)C(c1ccc(cc1)Cl)=O |
| SPLASH |
splash10-014r-8900000000-c16ee00507118e3ce569 |
| Source of Spectrum |
JF-336-120-7m |
| Wiley ID |
1789879 |
![2-(4-Chloro-N-methylbenzamido)-4,5,6,7-tetrahydrobenzo[d]isothiazol-2-ium trifluoromethanesulfonate](/api/spectrum/8BOz4ct9NDD/structure.png?h=300&w=458 "2-(4-Chloro-N-methylbenzamido)-4,5,6,7-tetrahydrobenzo[d]isothiazol-2-ium trifluoromethanesulfonate")
