Calcium citrate

PubChem Notes:

Calcium Citrate A colorless crystalline or white powdery organic, tricarboxylic acid occurring in plants, especially citrus fruits, and used as a flavoring agent, as an antioxidant in foods, and as a sequestrating agent. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)

Molecular Formula: C6H6CaO7


InChI: InChI=1/C6H8O7.Ca/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2/fC6H6O7.Ca/h11H;/q-2;m

InChIKey: InChIKey=PFKGDYCESFRMAP-UMMDVHHUCX
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Ca+2]

Names:
    Calcium citrate
    calcium 3-carboxy-3-hydroxy-pentanedioate
    CCRIS 3670
    Citric acid, calcium salt
    EINECS 231-703-2
    HSDB 243
    1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt
    7693-13-2

Registries:
    PubChem CID 24363
    PubChem ID 166878