Base information
| Cat. No. | |
| CAS No. | 7681-80-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H33NO6S |
| Molecular Weight | 415.544 |
| Exact Mass | 415.203 |
| XLogP3 | 3.7309 |
| Mr | 112.821 |
| PSA | 101.11 |
| Sequence | - |
| Atom number | 61 |
| Bond number | 61 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COS(=O)(=O)[O-].CCC(C(c1ccccc1)C(=O)OC1CC[N+](CC1)(C)C)C |
