1,2,4,5,6-pentaphosphonooxyhexan-3-yl dihydrogen phosphate

Systemtic Name: 1,2,4,5,6-pentaphosphonooxyhexan-3-yl dihydrogen phosphate Openeye Name: [1-(1,2-diphosphonooxyethyl)-2,3,4-triphosphonooxy-butyl] dihydrogen phosphate CAS Name: 1,2,4,5,6-pentaphosphonooxyhexan-3-yl dihydrogen phosphate IUPAC Name: 1,2,4,5,6-pentaphosphonooxyhexan-3-yl dihydrogen phosphate Traditional Name: [1-(1,2-diphosphonooxyethyl)-2,3,4-triphosphonooxy-butyl] dihydrogen phosphate Formula: C6H20O24P6 MolecularWeight: 662.051166

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C(C(C(C(C(COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C6H20O24P6/c7-31(8,9)25-1-3(27-33(13,14)15)5(29-35(19,20)21)6(30-36(22,23)24)4(28-34(16,17)18)2-26-32(10,11)12/h3-6H,1-2H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)