Base information
| Cat. No. | |
| CAS No. | 6459-94-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C37H28N4Na2O10S3 |
| Molecular Weight | 830.814 |
| Exact Mass | 830.076 |
| XLogP3 | 11.7867 |
| Mr | 197.856 |
| PSA | 252.58 |
| Sequence | - |
| Atom number | 84 |
| Bond number | 87 |
| Ring number | 6 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | [O-]S(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)[O-])/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+] |
