| SpectraBase Spectrum ID |
Ajwe1zexAOH |
| Name |
3-Ethyl-4-(7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)-2-methyl-1,3-thiazol-3-ium 4-methylbenzenesulfonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.096679807 u |
| Formula |
C23H23NO6S2 |
| InChI |
InChI=1S/C16H15NO3S.C7H8O3S/c1-4-17-10(3)21-8-13(17)15-9(2)20-14-7-11(18)5-6-12(14)16(15)19;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4H2,1-3H3;2-5H,1H3,(H,8,9,10) |
| InChIKey |
DQKVAYKXKGVKBK-UHFFFAOYSA-N |
| SMILES |
CC=1C=CC(S([O-])(=O)=O)=CC1.OC=1C=CC=2C(C(C=3[N+](=C(C)SC3)CC)=C(OC2C1)C)=O |
