Base information
| Cat. No. | |
| CAS No. | 71116-82-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H28O6S |
| Molecular Weight | 396.498 |
| Exact Mass | 396.161 |
| XLogP3 | 2.6031 |
| Mr | 105.111 |
| PSA | 135.46 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 56 |
| Ring number | 2 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cscc1)O)O |
