Base information
| Cat. No. | |
| CAS No. | 3244-88-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H17N3Na2O9S3 |
| Molecular Weight | 585.538 |
| Exact Mass | 584.992 |
| XLogP3 | 5.6353 |
| Mr | 125.909 |
| PSA | 269.8 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 54 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(cc(c1N)S(=O)(=O)[O-])/C(=C\1/C=CC(=N)C(=C1)S(=O)(=O)O)/c1ccc(c(c1)S(=O)(=O)[O-])N.[Na+].[Na+] |
