For research use only. Not for therapeutic Use.
| Catalog Number | M087091 |
| CAS Number | 16824-78-5 |
| Synonyms | CALCIUM PICRATE X-HYDRATE |
| Molecular Formula | C12H4CaN6O14 |
| Purity | ≥95% |
| Storage | Store at -20C |
| IUPAC Name | calcium;2,4,6-trinitrophenolate |
| InChI | InChI=1S/2C6H3N3O7.Ca/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1-2,10H;/q;;+2/p-2 |
| InChIKey | IMPNEEMVYLGDTR-UHFFFAOYSA-L |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Ca+2] |
