Base information
| Cat. No. | |
| CAS No. | 3624-68-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H9ClN2Na2O8S2 |
| Molecular Weight | 502.814 |
| Exact Mass | 501.928 |
| XLogP3 | 5.2896 |
| Mr | 99.6368 |
| PSA | 196.34 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 40 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(c(cc1/N=N/c1ccc2c(c1O)cccc2S(=O)(=O)[O-])Cl)S(=O)(=O)[O-].[Na+].[Na+] |
