Base information
| Cat. No. | |
| CAS No. | 1331-61-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H33NO3S |
| Molecular Weight | 343.525 |
| Exact Mass | 343.218 |
| XLogP3 | 6.5111 |
| Mr | 98.2772 |
| PSA | 65.58 |
| Sequence | - |
| Atom number | 56 |
| Bond number | 55 |
| Ring number | 1 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-].[NH4+] |
