Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Calcium saccharin hydrate 6381-91-5 23725013
Structure Other Information
Canonical SMILES C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].O.O.O.O.O.O.O.[Ca+2]
Iso SMILES C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].O.O.O.O.O.O.O.[Ca+2]
InChI InChI=1S/2C7H5NO3S.Ca.7H2O/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;;;;;;/h2*1-4H,(H,8,9);;7*1H2/q;;+2;;;;;;;/p-2
InChI Key NNOYLBKZPCUCQT-UHFFFAOYSA-L
Formula C14H22CaN2O13S2
Mol Weight 530.538
XlogP3 0
Charge 0

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Synonyms Information
CAS Name calcium 1,1-dioxo-1,2-benzothiazol-3-olate heptahydrate
IUPAC Name calcium 1,1-dioxo-1,2-benzothiazol-3-olate heptahydrate
Openeye Name calcium 1,1-dioxo-1,2-benzothiazol-3-olate heptahydrate
Systematic Name calcium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate heptahydrate
Tratitional Name calcium 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate heptahydrate