Base information
| Cat. No. | |
| CAS No. | 49735-71-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H13N3O9S2 |
| Molecular Weight | 467.43 |
| Exact Mass | 467.009 |
| XLogP3 | 5.76338 |
| Mr | 108.314 |
| PSA | 211.53 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 45 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | [O-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)O.COc1cc(ccc1[N+]#N)N(=O)=O |
