Base information
| Cat. No. | |
| CAS No. | 83-23-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H13NO9S3 |
| Molecular Weight | 459.471 |
| Exact Mass | 458.975 |
| XLogP3 | 5.5067 |
| Mr | 102.37 |
| PSA | 203.27 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 44 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)OS(=O)(=O)c1ccccc1)S(=O)(=O)O |
