Base information
| Cat. No. | |
| CAS No. | 6548-30-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C37H28N4Na2O12S3 |
| Molecular Weight | 862.812 |
| Exact Mass | 862.066 |
| XLogP3 | 11.1871 |
| Mr | 200.908 |
| PSA | 271.04 |
| Sequence | - |
| Atom number | 86 |
| Bond number | 89 |
| Ring number | 6 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)c1ccc(c(c1)OC)/N=N/c1c(O)ccc2c1c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
