Base information
| Cat. No. | |
| CAS No. | 12225-21-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H9N4Na3O9S2 |
| Molecular Weight | 534.363 |
| Exact Mass | 533.95 |
| XLogP3 | 0.762 |
| Mr | 104.04 |
| PSA | 228.68 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 42 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)C1=NN(C(=O)C1/N=N/c1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
