Base information
| Cat. No. | |
| CAS No. | 12235-21-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H17N2NaO6S |
| Molecular Weight | 436.414 |
| Exact Mass | 436.071 |
| XLogP3 | 5.411 |
| Mr | 105.587 |
| PSA | 128.99 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 48 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc(cc1/N=N/c1ccc(cc1)OCCOS(=O)(=O)[O-])c1ccccc1.[Na+] |
