barium(2+); (2R,3S,4S)-1,2-bis(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-3,4-diolate

Systemtic Name: barium(2+); (2R,3S,4S)-1,2-bis(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-3,4-diolate Openeye Name: barium(2+); (2R,3S,4S)-1,2-dihydroxy-5-oxo-6-phosphonooxy-hexane-3,4-diolate CAS Name: barium(2+); (2R,3S,4S)-1,2-dihydroxy-5-oxo-6-phosphonooxyhexane-3,4-diolate IUPAC Name: barium(2+); (2R,3S,4S)-1,2-dihydroxy-5-oxo-6-phosphonooxyhexane-3,4-diolate Traditional Name: barium(2+); (2R,3S,4S)-1,2-dihydroxy-5-keto-6-phosphonooxy-hexane-3,4-diolate Formula: C6H11BaO9P MolecularWeight: 395.446901

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(=O)COP(=O)(O)O)[O-])[O-])O)O.[Ba+2]

Isomeric SMILES

C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)[O-])[O-])O)O.[Ba+2]

InChI

InChI=1S/C6H11O9P.Ba/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h3,5-8H,1-2H2,(H2,12,13,14);/q-2;+2/t3-,5-,6-;/m1./s1