Base information
| Cat. No. | |
| CAS No. | 62625-31-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H17NaO5S |
| Molecular Weight | 404.411 |
| Exact Mass | 404.069 |
| XLogP3 | 4.5726 |
| Mr | 101.996 |
| PSA | 102.88 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 46 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C1C=C/C(=C(\c2ccccc2S(=O)(=O)[O-])/c2ccc(cc2C)O)/C(=C1)C.[Na+] |
