Base information
| Cat. No. | |
| CAS No. | 12225-25-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H16N2Na2O11S3 |
| Molecular Weight | 626.544 |
| Exact Mass | 625.971 |
| XLogP3 | 4.839 |
| Mr | 129.375 |
| PSA | 255.1 |
| Sequence | - |
| Atom number | 56 |
| Bond number | 57 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)[O-])Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+] |
