Base information
| Cat. No. | |
| CAS No. | 12226-38-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H16N3Na3O15S4 |
| Molecular Weight | 735.581 |
| Exact Mass | 734.916 |
| XLogP3 | 5.0797 |
| Mr | 136.61 |
| PSA | 342.77 |
| Sequence | - |
| Atom number | 61 |
| Bond number | 60 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])/N=N/c1cc(ccc1O)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
