Base information
| Cat. No. | |
| CAS No. | 8003-57-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C36H22N7Na3O10S3 |
| Molecular Weight | 877.765 |
| Exact Mass | 877.028 |
| XLogP3 | 10.6613 |
| Mr | 202.477 |
| PSA | 313.66 |
| Sequence | - |
| Atom number | 81 |
| Bond number | 84 |
| Ring number | 7 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc2c(c1)C(=O)/C(=N\Nc1ccc(c3c1ccc(c3)S(=O)(=O)[O-])/N=N/c1ccc(c3c1ccc(c3)S(=O)(=O)[O-])/N=N/c1ccccc1)/C(=C2)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
