Base information
| Cat. No. | |
| CAS No. | 20123-80-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H10CaO10S2 |
| Molecular Weight | 418.41 |
| Exact Mass | 417.934 |
| XLogP3 | 2.1654 |
| Mr | 76.9908 |
| PSA | 212.08 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 34 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc(c(c1)S(=O)(=O)[O-])O.Oc1ccc(c(c1)S(=O)(=O)[O-])O.[Ca+2] |