potassium; [2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate

Systemtic Name: potassium; [2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate Openeye Name: potassium; (2,3,5-trihydroxy-4,6-diphosphonooxy-cyclohexyl) dihydrogen phosphate CAS Name: potassium; (2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl) dihydrogen phosphate IUPAC Name: potassium; (2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl) dihydrogen phosphate Traditional Name: potassium; (2,3,5-trihydroxy-4,6-diphosphonooxy-cyclohexyl) dihydrogen phosphate Formula: C6H15KO15P3 MolecularWeight: 459.193883

Click to see the large picture

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]

Isomeric SMILES

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

InChI

InChI=1S/C6H15O15P3.K/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);