1,2,4,5,6-pentaphosphonatooxyhexan-3-yl phosphate

Systemtic Name: 1,2,4,5,6-pentaphosphonatooxyhexan-3-yl phosphate Openeye Name: [1-(1,2-diphosphonatooxyethyl)-2,3,4-triphosphonatooxy-butyl] phosphate CAS Name: 1,2,4,5,6-pentaphosphonatooxyhexan-3-yl phosphate IUPAC Name: 1,2,4,5,6-pentaphosphonatooxyhexan-3-yl phosphate Traditional Name: [1-(1,2-diphosphatoethyl)-2,3,4-triphosphato-butyl] phosphate Formula: C6H8O24P6-12 MolecularWeight: 649.955886

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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)/p-12