| SpectraBase Spectrum ID |
1Ap4rqTeEkW |
| Name |
5-(p-Nitrophenyl)-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 |
449.045038154 u |
| Formula |
C16H19NO10S2 |
| InChI |
InChI=1S/C16H19NO10S2/c1-3-26-15(18)13-12(10-5-7-11(8-6-10)17(20)21)14(16(19)27-4-2)29(24,25)9-28(13,22)23/h5-8,12-14H,3-4,9H2,1-2H3 |
| InChIKey |
QPAZIJMQZBEQBA-UHFFFAOYSA-N |
| Molecular Weight |
449.445 g/mol |
| SMILES |
N(=O)(=O)C1=CC=C(C=C1)C1C(S(CS(C1C(OCC)=O)(=O)=O)(=O)=O)C(OCC)=O |
