Base information
| Cat. No. | |
| CAS No. | 1322-93-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H19NaO3S |
| Molecular Weight | 314.375 |
| Exact Mass | 314.095 |
| XLogP3 | 5.0715 |
| Mr | 81.1154 |
| PSA | 65.58 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 40 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(c1ccc2c(c1)cc(cc2S(=O)(=O)[O-])C(C)C)C.[Na+] |
