dicalcium; 2-oxidanylpropanoate; 2,3,4,5,6-pentakis(oxidanyl)hexanoate

Systemtic Name: dicalcium; 2-oxidanylpropanoate; 2,3,4,5,6-pentakis(oxidanyl)hexanoate Openeye Name: dicalcium; 2-hydroxypropanoate; 2,3,4,5,6-pentahydroxyhexanoate CAS Name: dicalcium; 2-hydroxypropanoate; 2,3,4,5,6-pentahydroxyhexanoate IUPAC Name: dicalcium; 2-hydroxypropanoate; 2,3,4,5,6-pentahydroxyhexanoate Traditional Name: dicalcium; lactate; 2,3,4,5,6-pentahydroxyhexanoate Formula: C18H32Ca2O20 MolecularWeight: 648.59068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H12O7.2C3H6O3.2Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;2*1-2(4)3(5)6;;/h2*2-5,7-11H,1H2,(H,12,13);2*2,4H,1H3,(H,5,6);;/q;;;;2*+2/p-4