barium(2+); 2,3,4,5-tetrakis(oxidanyl)-6-phosphonatooxy-hexanoate

Systemtic Name: barium(2+); 2,3,4,5-tetrakis(oxidanyl)-6-phosphonatooxy-hexanoate Openeye Name: barium(2+); 2,3,4,5-tetrahydroxy-6-phosphonatooxy-hexanoate CAS Name: barium(2+); 2,3,4,5-tetrahydroxy-6-phosphonatooxyhexanoate IUPAC Name: barium(2+); 2,3,4,5-tetrahydroxy-6-phosphonatooxyhexanoate Traditional Name: barium(2+); 2,3,4,5-tetrahydroxy-6-phosphato-hexanoate Formula: C12H20Ba3O20P2 MolecularWeight: 958.203722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H13O10P.3Ba/c2*7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12;;;/h2*2-5,7-10H,1H2,(H,11,12)(H2,13,14,15);;;/q;;3*+2/p-6