Base information
| Cat. No. | |
| CAS No. | 79551-14-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H8N4Na2O8S2 |
| Molecular Weight | 494.366 |
| Exact Mass | 493.958 |
| XLogP3 | 3.4234 |
| Mr | 94.4768 |
| PSA | 209 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | [O-]S(=O)(=O)c1ccc(o1)c1nc(nnc1c1ccc(o1)S(=O)(=O)[O-])c1ccccn1.[Na+].[Na+] |
