hexapotassium [2,3,5-tris(oxidanyl)-4,6-diphosphonatooxy-cyclohexyl] phosphate

Systemtic Name: hexapotassium [2,3,5-tris(oxidanyl)-4,6-diphosphonatooxy-cyclohexyl] phosphate Openeye Name: hexapotassium (2,3,5-trihydroxy-4,6-diphosphonatooxy-cyclohexyl) phosphate CAS Name: hexapotassium (2,3,5-trihydroxy-4,6-diphosphonatooxycyclohexyl) phosphate IUPAC Name: hexapotassium (2,3,5-trihydroxy-4,6-diphosphonatooxycyclohexyl) phosphate Traditional Name: hexapotassium (2,3,5-trihydroxy-4,6-diphosphato-cyclohexyl) phosphate Formula: C6H9K6O15P3 MolecularWeight: 648.637743

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(C(C(C(C1OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O.[K+].[K+].[K+].[K+].[K+].[K+]

Isomeric SMILES

C1(C(C(C(C(C1OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O.[K+].[K+].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C6H15O15P3.6K/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12;;;;;;/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);;;;;;/q;6*+1/p-6