Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Calcium saccharin 6485-34-3 62610
Structure Other Information
Canonical SMILES C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=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-].[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
Formula C14H8CaN2O6S2
Mol Weight 404.431
XlogP3 0
Charge 0

Click structure image, you can go to pubchem link...

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