iron(2+); (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate; dihydrate

Systemtic Name: iron(2+); (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate; dihydrate Openeye Name: ferrous (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate dihydrate CAS Name: iron(2+); (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate; dihydrate IUPAC Name: iron(2+); (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate; dihydrate Traditional Name: ferrous (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate dihydrate Formula: C12H26FeO16 MolecularWeight: 482.17024

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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.[Fe+2]

Isomeric SMILES

C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.O.[Fe+2]

InChI

InChI=1S/2C6H12O7.Fe.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/t2*2-,3-,4+,5-;;;/m11.../s1