Base information
| Cat. No. | |
| CAS No. | 196504-57-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H12NNaO9S3 |
| Molecular Weight | 481.453 |
| Exact Mass | 480.957 |
| XLogP3 | 5.8424 |
| Mr | 105.239 |
| PSA | 214.27 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 44 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Nc1cc(c2c3c1ccc1c3c(cc2)c(cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[NaH] |
