Base information
| Cat. No. | |
| CAS No. | 438-67-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H21NaO5S |
| Molecular Weight | 372.411 |
| Exact Mass | 372.101 |
| XLogP3 | 4.0316 |
| Mr | 88.4114 |
| PSA | 91.88 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 48 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)[O-].[Na+] |
