calcium (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4-oxidanyl-5-oxidanylidene-2H-furan-3-olate dihydrate

Systemtic Name: calcium (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4-oxidanyl-5-oxidanylidene-2H-furan-3-olate dihydrate Openeye Name: calcium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate dihydrate CAS Name: calcium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate dihydrate IUPAC Name: calcium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate dihydrate Traditional Name: calcium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-keto-2H-furan-3-olate dihydrate Formula: C12H18CaO14 MolecularWeight: 426.34092

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C1C(=C(C(=O)O1)O)[O-])O)O.C(C(C1C(=C(C(=O)O1)O)[O-])O)O.O.O.[Ca+2]

Isomeric SMILES

C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.O.O.[Ca+2]

InChI

InChI=1S/2C6H8O6.Ca.2H2O/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;;;/h2*2,5,7-10H,1H2;;2*1H2/q;;+2;;/p-2/t2*2-,5+;;;/m00.../s1