Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Calcium benzoate 2090-05-3 62425
Structure Other Information
Canonical SMILES C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2]
Iso SMILES C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2]
InChI InChI=1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2
InChI Key NSQPPSOSXWOZNH-UHFFFAOYSA-L
Formula C14H10CaO4
Mol Weight 282.305
XlogP3 0
Charge 0

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Synonyms Information
CAS Name calcium dibenzoate
IUPAC Name calcium dibenzoate
Openeye Name calcium dibenzoate
Systematic Name calcium dibenzoate
Tratitional Name calcium dibenzoate