Base information
| Cat. No. | |
| CAS No. | 1324-58-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C34H19Cl2N4Na3O11S3 |
| Molecular Weight | 895.605 |
| Exact Mass | 893.928 |
| XLogP3 | 8.1889 |
| Mr | 199.942 |
| PSA | 249.78 |
| Sequence | - |
| Atom number | 76 |
| Bond number | 81 |
| Ring number | 9 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCn1c2cc3Oc4c(=Nc3cc2c2c1cccc2S(=O)(=O)[O-])c(Cl)c1c(=Nc2c(O1)cc1c(c2)c2c(n1CC)c(ccc2S(=O)(=O)[O-])S(=O)(=O)[O-])c4Cl.[Na+].[Na+].[Na+] |
