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

Systemtic Name: calcium 5-[(1S)-1,2-bis(oxidanyl)ethyl]-3-oxidanyl-4-oxidanylidene-furan-2-olate hydrate Openeye Name: calcium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxo-furan-2-olate hydrate CAS Name: calcium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxo-2-furanolate hydrate IUPAC Name: calcium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxofuran-2-olate hydrate Traditional Name: calcium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-keto-furan-2-olate hydrate Formula: C12H16CaO13 MolecularWeight: 408.32564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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