SpectraBase Spectrum ID |
KLayuIafW3E |
Name |
1,3-Methylene-ditosyl-D-arabitol |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
472.086174692 u |
Formula |
C20H24O9S2 |
InChI |
InChI=1S/C20H24O9S2/c1-14-3-7-16(8-4-14)30(22,23)28-11-18(21)20-19(12-26-13-27-20)29-31(24,25)17-9-5-15(2)6-10-17/h3-10,18-21H,11-13H2,1-2H3 |
InChIKey |
OKMJTQOREXRLBX-UHFFFAOYSA-N |
Molecular Weight |
472.523 g/mol |
SMILES |
C1(C(COCO1)OS(=O)(=O)C1=CC=C(C=C1)C)C(COS(=O)(=O)C1=CC=C(C=C1)C)O |