calcium [3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl] phosphate

Systemtic Name: calcium [3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl] phosphate Openeye Name: calcium (3,4,5,6-tetrahydroxy-2-oxo-hexyl) phosphate CAS Name: calcium (3,4,5,6-tetrahydroxy-2-oxohexyl) phosphate IUPAC Name: calcium (3,4,5,6-tetrahydroxy-2-oxohexyl) phosphate Traditional Name: calcium (3,4,5,6-tetrahydroxy-2-keto-hexyl) phosphate Formula: C6H11CaO9P MolecularWeight: 298.197901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13O9P.Ca/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h3,5-8,10-11H,1-2H2,(H2,12,13,14);/q;+2/p-2