Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Calcium sorbate 90550-09-7 6433506
Structure Other Information
Canonical SMILES CC=CC=CC(=O)[O-].CC=CC=CC(=O)[O-].[Ca+2]
Iso SMILES C/C=C/C=C/C(=O)[O-].C/C=C/C=C/C(=O)[O-].[Ca+2]
InChI InChI=1S/2C6H8O2.Ca/c2*1-2-3-4-5-6(7)8;/h2*2-5H,1H3,(H,7,8);/q;;+2/p-2/b2*3-2+,5-4+;
InChI Key MCFVRESNTICQSJ-RJNTXXOISA-L
Formula C12H14CaO4
Mol Weight 262.315
XlogP3 0
Charge 0

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Synonyms Information
CAS Name calcium (2E,4E)-hexa-2,4-dienoate
IUPAC Name calcium (2E,4E)-hexa-2,4-dienoate
Openeye Name calcium (2E,4E)-hexa-2,4-dienoate
Systematic Name calcium (2E,4E)-hexa-2,4-dienoate
Tratitional Name calcium (2E,4E)-hexa-2,4-dienoate