calcium; 2-oxidanylpropane-1,2,3-tricarboxylate; 2-oxidanylpropanoate; 2,3,4,5,6-pentakis(oxidanyl)hexanoate

Systemtic Name: calcium; 2-oxidanylpropane-1,2,3-tricarboxylate; 2-oxidanylpropanoate; 2,3,4,5,6-pentakis(oxidanyl)hexanoate Openeye Name: calcium; 2-hydroxypropanoate; 2,3,4,5,6-pentahydroxyhexanoate; citrate CAS Name: calcium; 2-hydroxypropane-1,2,3-tricarboxylate; 2-hydroxypropanoate; 2,3,4,5,6-pentahydroxyhexanoate IUPAC Name: calcium; 2-hydroxypropane-1,2,3-tricarboxylate; 2-hydroxypropanoate; 2,3,4,5,6-pentahydroxyhexanoate Traditional Name: calcium; lactate; 2,3,4,5,6-pentahydroxyhexanoate; citrate Formula: C15H21CaO17-3 MolecularWeight: 513.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C6H12O7.C3H6O3.Ca/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-2(8)3(9)4(10)5(11)6(12)13;1-2(4)3(5)6;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2-5,7-11H,1H2,(H,12,13);2,4H,1H3,(H,5,6);/q;;;+2/p-5