calcium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(oxidanyl)heptanoate dihydrate

Systemtic Name: calcium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(oxidanyl)heptanoate dihydrate Openeye Name: calcium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate dihydrate CAS Name: calcium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate dihydrate IUPAC Name: calcium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate dihydrate Traditional Name: calcium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyenanthate dihydrate Formula: C14H30CaO18 MolecularWeight: 526.4552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H14O8.Ca.2H2O/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;/h2*2-6,8-13H,1H2,(H,14,15);;2*1H2/q;;+2;;/p-2/t2*2-,3-,4+,5-,6-;;;/m11.../s1