| SpectraBase Spectrum ID |
AjaTCnamc82 |
| Name |
5-(p-Chlorophenyl)-m-dithiane-4,6-dicarboxylic acid, diethyl ester, 1,1,3,3-tetraoxide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.020987612 u |
| Formula |
C16H19ClO8S2 |
| InChI |
InChI=1S/C16H19ClO8S2/c1-3-24-15(18)13-12(10-5-7-11(17)8-6-10)14(16(19)25-4-2)27(22,23)9-26(13,20)21/h5-8,12-14H,3-4,9H2,1-2H3 |
| InChIKey |
XUDMAPYCSMXCOY-UHFFFAOYSA-N |
| Molecular Weight |
438.893 g/mol |
| SMILES |
C=1C(=CC=C(C1)Cl)C1C(S(CS(C1C(OCC)=O)(=O)=O)(=O)=O)C(OCC)=O |
