Base information
| Cat. No. | |
| CAS No. | 3564-18-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C23H19NaO9S |
| Molecular Weight | 494.446 |
| Exact Mass | 494.065 |
| XLogP3 | 4.3151 |
| Mr | 116.532 |
| PSA | 166.81 |
| Sequence | - |
| Atom number | 53 |
| Bond number | 55 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(cc(c1O)C(=O)O)C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(c(c1)C(=O)O)O.[NaH] |
