Base information
| Cat. No. | |
| CAS No. | 25910-85-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22N2O7S |
| Molecular Weight | 446.474 |
| Exact Mass | 446.115 |
| XLogP3 | 4.8386 |
| Mr | 119.72 |
| PSA | 133.74 |
| Sequence | - |
| Atom number | 53 |
| Bond number | 54 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COS(=O)(=O)[O-].CCOc1ccc2c(c1)ccc([n+]2C)/C=C/c1cccc(c1)[N+](=O)[O-] |
