barium(2+); [5-[1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl] sulfate

Systemtic Name: barium(2+); [5-[1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl] sulfate Openeye Name: barium(2+); [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-3-furyl] sulfate CAS Name: barium(2+); [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-3-furanyl] sulfate IUPAC Name: barium(2+); [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxofuran-3-yl] sulfate Traditional Name: barium(2+); [5-(1,2-dihydroxyethyl)-2-hydroxy-4-keto-3-furyl] sulfate Formula: C12H14BaO18S2 MolecularWeight: 647.68576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H8O9S.Ba/c2*7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;/h2*2,4,7-8,10H,1H2,(H,11,12,13);/q;;+2/p-2