| SpectraBase Spectrum ID |
4oHi8pRnODj |
| Name |
5-(p-Chlorophenyl)-2-methyl-2-phenyl-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 |
528.067937805 u |
| Formula |
C23H25ClO8S2 |
| InChI |
InChI=1S/C23H25ClO8S2/c1-4-31-21(25)19-18(15-11-13-17(24)14-12-15)20(22(26)32-5-2)34(29,30)23(3,33(19,27)28)16-9-7-6-8-10-16/h6-14,18-20H,4-5H2,1-3H3 |
| InChIKey |
FVRKMISOBCHQFO-UHFFFAOYSA-N |
| Molecular Weight |
529.018 g/mol |
| SMILES |
C=1C(=CC=C(C1)Cl)C1C(S(C(S(C1C(OCC)=O)(=O)=O)(C=1C=CC=CC1)C)(=O)=O)C(OCC)=O |
