calcium 2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethanolate

Systemtic Name: calcium 2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethanolate Openeye Name: calcium 2-(4,5-dihydroxy-3-oxo-2-furyl)-2-hydroxy-ethanolate CAS Name: calcium 2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-hydroxyethanolate IUPAC Name: calcium 2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethanolate Traditional Name: calcium 2-(4,5-dihydroxy-3-keto-2-furyl)-2-hydroxy-ethanolate 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/2C6H7O6.Ca/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,8,10-11H,1H2;/q2*-1;+2