1,3,4-triphosphonooxybutan-2-yl dihydrogen phosphate

Systemtic Name: 1,3,4-triphosphonooxybutan-2-yl dihydrogen phosphate Openeye Name: [2,3-diphosphonooxy-1-(phosphonooxymethyl)propyl] dihydrogen phosphate CAS Name: 1,3,4-triphosphonooxybutan-2-yl dihydrogen phosphate IUPAC Name: 1,3,4-triphosphonooxybutan-2-yl dihydrogen phosphate Traditional Name: [2,3-diphosphonooxy-1-(phosphonooxymethyl)propyl] dihydrogen phosphate Formula: C4H14O16P4 MolecularWeight: 442.039404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H14O16P4/c5-21(6,7)17-1-3(19-23(11,12)13)4(20-24(14,15)16)2-18-22(8,9)10/h3-4H,1-2H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)