barium(2+); (2R)-1,2-bis(oxidanyl)-5-phosphonato-pentan-3-one

Systemtic Name: barium(2+); (2R)-1,2-bis(oxidanyl)-5-phosphonato-pentan-3-one Openeye Name: barium(2+); (2R)-1,2-dihydroxy-5-phosphonato-pentan-3-one CAS Name: barium(2+); (2R)-1,2-dihydroxy-5-phosphonato-3-pentanone IUPAC Name: barium(2+); (2R)-1,2-dihydroxy-5-phosphonatopentan-3-one Traditional Name: barium(2+); (2R)-1,2-dihydroxy-5-phosphonato-pentan-3-one Formula: C5H9BaO6P MolecularWeight: 333.422121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H11O6P.Ba/c6-3-5(8)4(7)1-2-12(9,10)11;/h5-6,8H,1-3H2,(H2,9,10,11);/q;+2/p-2/t5-;/m1./s1