Base information
| Cat. No. | |
| CAS No. | 50880-65-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H9N2Na3O10S3 |
| Molecular Weight | 554.414 |
| Exact Mass | 553.911 |
| XLogP3 | 4.9155 |
| Mr | 100.611 |
| PSA | 241.69 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 42 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | Oc1c(/N=N/c2ccc(cc2)S(=O)(=O)[O-])c2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
