Base information
| Cat. No. | |
| CAS No. | 25360-72-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H17N3Na2O9S3 |
| Molecular Weight | 681.624 |
| Exact Mass | 680.992 |
| XLogP3 | 6.5892 |
| Mr | 153.987 |
| PSA | 225.54 |
| Sequence | - |
| Atom number | 62 |
| Bond number | 65 |
| Ring number | 6 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | [O-]S(=O)(=O)c1ccc2c(c1)c(cc1c2nc2ccccc2[n+]1c1ccccc1)Nc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
