Base information
| Cat. No. | |
| CAS No. | 54935-03-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H17NO9S2 |
| Molecular Weight | 491.491 |
| Exact Mass | 491.034 |
| XLogP3 | 4.9443 |
| Mr | 119.999 |
| PSA | 173.06 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 53 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | Cc1cccc2c1NC(=O)C2(c1ccc(cc1)OS(=O)(=O)O)c1ccc(cc1)OS(=O)(=O)O |
