Base information
| Cat. No. | |
| CAS No. | 118685-33-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C39H23ClCrN7Na2O12S |
| Molecular Weight | 947.133 |
| Exact Mass | 946.001 |
| XLogP3 | 14.4119 |
| Mr | 216.359 |
| PSA | 320.16 |
| Sequence | - |
| Atom number | 86 |
| Bond number | 88 |
| Ring number | 7 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(c(c1)/N=N/c1c([O-])ccc2c1cccc2)[O-].COc1ccc(cc1)Nc1ccc2c(c1)cc(c(c2[O-])/N=N/c1cc(cc(c1[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Cr+3] |
