barium(2+); [2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonatooxy-hexyl] phosphate

Systemtic Name: barium(2+); [2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonatooxy-hexyl] phosphate Openeye Name: barium(2+); (2,3,4-trihydroxy-5-oxo-6-phosphonatooxy-hexyl) phosphate CAS Name: barium(2+); (2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl) phosphate IUPAC Name: barium(2+); (2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl) phosphate Traditional Name: barium(2+); (2,3,4-trihydroxy-5-keto-6-phosphato-hexyl) phosphate Formula: C6H10Ba2O12P2 MolecularWeight: 610.737922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O12P2.2Ba/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;/q;2*+2/p-4