Base information
| Cat. No. | |
| CAS No. | 12217-75-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H23N6Na3O11S3 |
| Molecular Weight | 820.712 |
| Exact Mass | 820.028 |
| XLogP3 | 9.888 |
| Mr | 180.181 |
| PSA | 300.03 |
| Sequence | - |
| Atom number | 77 |
| Bond number | 78 |
| Ring number | 5 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | COc1cc(/N=N/c2cccc(c2)S(=O)(=O)[O-])ccc1/N=C(/Nc1ccc(c(c1)C)/N=N/c1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)[O-])\[O-].[Na+].[Na+].[Na+] |
