Base information
| Cat. No. | |
| CAS No. | 68081-81-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H27NaO3S |
| Molecular Weight | 334.449 |
| Exact Mass | 334.158 |
| XLogP3 | 5.7448 |
| Mr | 87.4854 |
| PSA | 65.58 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 48 |
| Ring number | 1 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | CCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].[Na+] |
