Calcium saccharin

Catalog	ACM6485343-1
CAS	6485-34-3
Structure
Synonyms	1,2-Benzisothiazolin-3-one, 1,1-dioxide, calcium salt
IUPAC Name	Calcium;1,1-dioxo-1,2-benzothiazol-3-olate
Molecular Weight	404.4
Molecular Formula	C14H8CaN2O6S2
Canonical SMILES	C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Ca+2]
InChI	InChI=1S/2C7H5NO3S.Ca/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h2*1-4H,(H,8,9);/q;+2/p-2
InChI Key	LNMAXKMUGYXKPJ-UHFFFAOYSA-L
Purity	95%+
Solubility	Soluble in ethanol
Exact Mass	403.9449692
Monoisotopic Mass	403.9449692
Physical State	Crystalline powder
Topological Polar Surface Area	156 Ų