Base information
| Cat. No. | |
| CAS No. | 28048-33-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H12N4Na2O6S2 |
| Molecular Weight | 514.442 |
| Exact Mass | 513.999 |
| XLogP3 | 4.2374 |
| Mr | 109.945 |
| PSA | 182.72 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 47 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | [O-]S(=O)(=O)c1ccc(cc1)c1nc(nnc1c1ccc(cc1)S(=O)(=O)[O-])c1ccccn1.[Na+].[Na+] |
