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

Systemtic Name: calcium [2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexyl] phosphate tetrahydrate Openeye Name: calcium (2,3,4,5-tetrahydroxy-6-oxo-hexyl) phosphate tetrahydrate CAS Name: calcium (2,3,4,5-tetrahydroxy-6-oxohexyl) phosphate tetrahydrate IUPAC Name: calcium (2,3,4,5-tetrahydroxy-6-oxohexyl) phosphate tetrahydrate Traditional Name: calcium (2,3,4,5-tetrahydroxy-6-keto-hexyl) phosphate tetrahydrate Formula: C6H19CaO13P MolecularWeight: 370.259021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13O9P.Ca.4H2O/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;;;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;4*1H2/q;+2;;;;/p-2