Base information
| Cat. No. | |
| CAS No. | 12225-83-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H17N3Na2O11S3 |
| Molecular Weight | 617.537 |
| Exact Mass | 616.982 |
| XLogP3 | 5.3892 |
| Mr | 126.579 |
| PSA | 256.96 |
| Sequence | - |
| Atom number | 56 |
| Bond number | 56 |
| Ring number | 3 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)[O-])/N=N/c1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+] |
