calcium 2,3,4,5,6-pentakis(oxidanyl)hexanoate dihydrate

Systemtic Name: calcium 2,3,4,5,6-pentakis(oxidanyl)hexanoate dihydrate Openeye Name: calcium 2,3,4,5,6-pentahydroxyhexanoate dihydrate CAS Name: calcium 2,3,4,5,6-pentahydroxyhexanoate dihydrate IUPAC Name: calcium 2,3,4,5,6-pentahydroxyhexanoate dihydrate Traditional Name: calcium 2,3,4,5,6-pentahydroxyhexanoate dihydrate Formula: C12H26CaO16 MolecularWeight: 466.40324

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Descriptors Computed from Structure

Canonical SMILES:

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.O.O.[Ca+2]

Isomeric SMILES

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.O.O.[Ca+2]

InChI

InChI=1S/2C6H12O7.Ca.2H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2*2-5,7-11H,1H2,(H,12,13);;2*1H2/q;;+2;;/p-2