Base information
| Cat. No. | |
| CAS No. | 3734-67-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H13N3Na2O8S2 |
| Molecular Weight | 509.421 |
| Exact Mass | 508.994 |
| XLogP3 | 4.962 |
| Mr | 106.916 |
| PSA | 205.21 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 46 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])/N=N/c1ccccc1)S(=O)(=O)[O-].[Na+].[Na+] |
