Base information
| Cat. No. | |
| CAS No. | 117-46-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H13NO8S2 |
| Molecular Weight | 423.417 |
| Exact Mass | 423.008 |
| XLogP3 | 4.5257 |
| Mr | 99.9028 |
| PSA | 174.83 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 43 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=C(c1ccccc1)Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O |
