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

Systemtic Name: calcium 5-[1,2-bis(oxidanyl)ethyl]-3-oxidanyl-4-oxidanylidene-furan-2-olate Openeye Name: calcium 5-(1,2-dihydroxyethyl)-3-hydroxy-4-oxo-furan-2-olate CAS Name: calcium 5-(1,2-dihydroxyethyl)-3-hydroxy-4-oxo-2-furanolate IUPAC Name: calcium 5-(1,2-dihydroxyethyl)-3-hydroxy-4-oxofuran-2-olate Traditional Name: calcium 5-(1,2-dihydroxyethyl)-3-hydroxy-4-keto-furan-2-olate Formula: C12H14CaO12 MolecularWeight: 390.31036

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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.[Ca+2]

Isomeric SMILES

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

InChI

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