Base information
| Cat. No. | |
| CAS No. | 67763-22-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H17NaO5S |
| Molecular Weight | 404.411 |
| Exact Mass | 404.069 |
| XLogP3 | 4.9437 |
| Mr | 100.106 |
| PSA | 81.21 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 48 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [Na]Oc1ccc(c(c1)C)C1(OS(=O)(=O)c2c1cccc2)c1ccc(cc1C)O |
