| FADB-China ID | P0916 |
| Molecular Name | Aluminate(12-), hexaoxotris[sulfato(2-)]di-, calcium (1:6) |
| Basis for prediction |
Ferrous sulfate |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.3509 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 1.0000 |
| Similarity (based on MCS) | 0.1667 |
| 2D Structure |  |
| SMILES | O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2] |
| CFM-ID 3.0 (Copy SMILES to the website's input box) | URL Link |
| Update Date | Jul 30, 2019 14:16 |