Base information
| Cat. No. | |
| CAS No. | 206752-32-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H14NNaO9S2 |
| Molecular Weight | 463.414 |
| Exact Mass | 463.001 |
| XLogP3 | 4.2497 |
| Mr | 102.604 |
| PSA | 190.38 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 44 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Oc1ccccc1/C=N/c1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].O |
