Base information
| Cat. No. | |
| CAS No. | 107761-81-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C23H16N2O9S |
| Molecular Weight | 496.446 |
| Exact Mass | 496.058 |
| XLogP3 | 3.71546 |
| Mr | 122.531 |
| PSA | 215.2 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 53 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C1c2cccc(c2C=CC1=[N+]=[N-])S(=O)(=O)O.Oc1ccc(cc1)C(=O)c1ccc(c(c1O)O)O |
