calcium; [2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexyl] dihydrogen phosphate

Systemtic Name: calcium; [2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexyl] dihydrogen phosphate Openeye Name: calcium; (2,3,4-trihydroxy-5-oxo-6-phosphonooxy-hexyl) dihydrogen phosphate CAS Name: calcium; (2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl) dihydrogen phosphate IUPAC Name: calcium; (2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl) dihydrogen phosphate Traditional Name: calcium; (2,3,4-trihydroxy-5-keto-6-phosphonooxy-hexyl) dihydrogen phosphate Formula: C6H14CaO12P2 MolecularWeight: 380.193682

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O.[Ca]

Isomeric SMILES

C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O.[Ca]

InChI

InChI=1S/C6H14O12P2.Ca/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);