Calcium saccharin hydrate
calcium;bis(1,1-dioxo-1,2-benzothiazol-3-olate);hydrate
| Molecular Formula | C14H10CaN2O7S2 |
|---|---|
| Molecular Weight | 422.5 g/mol |
| Topological Polar Surface Area | 157.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 421.95554 |
| Heavy Atoms | 26 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 6381-91-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].O.[Ca+2] |
| InChIKey | MQRKKLAGBPVXCD-UHFFFAOYSA-L |
📖 Product Overview
Calcium saccharin hydrate (CAS: 6381-91-5) is a chemical compound with molecular formula C14H10CaN2O7S2 and molecular weight 422.5 g/mol. Its IUPAC systematic name is calcium;bis(1,1-dioxo-1,2-benzothiazol-3-olate);hydrate.
MQRKKLAGBPVXCD-UHFFFAOYSA-L.
SMILES: C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].O.[Ca+2].
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