L-(+)-Calciummandelate
[CAS# 19944-53-7]

Identification

• Name: L-(+)-Calciummandelate
• Synonyms: Calcium (2S)-2-Hydroxy-2-Phenyl-Ethanoate; L-(+)-Mandelic Acid Calcium Salt; Calcium (2S)-2-Hydroxy-2-Phenyl-Acetate
• Molecular Formula: C₁₆H₁₄CaO₆
• Molecular Weight: 342.36
• CAS Registry Number: 19944-53-7
• SMILES: [C@H](O)(C1=CC=CC=C1)C([O-])=O.C2=C(C(O)C([O-])=O)C=CC=C2.[Ca++]
• InChI: 1S/2C8H8O3.Ca/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5,7,9H,(H,10,11);/q;;+2/p-2/t7-;;/m0../s1
• InChIKey: GCXSYHGQGJCRRW-KLXURFKVSA-L