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calcium 2-oxidanylpropane-1,2,3-tricarboxylate

calcium 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name:calcium 2-oxidanylpropane-1,2,3-tricarboxylate
Openeye Name:calcium citrate
CAS Name:calcium 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC Name:calcium 2-hydroxypropane-1,2,3-tricarboxylate
Traditional Name:calcium citrate
Formula: C6H5CaO7-
MolecularWeight: 229.1777
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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ca+2]


Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ca+2]


InChI

InChI=1S/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-3


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