trisodium [[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanidyl-phosphoryl] phosphate

Systemtic Name: trisodium [[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanidyl-phosphoryl] phosphate Openeye Name: trisodium [[(E)-4-hydroxy-3-methyl-but-2-enoxy]-oxido-phosphoryl] phosphate CAS Name: trisodium [[(E)-4-hydroxy-3-methylbut-2-enoxy]-oxidophosphoryl] phosphate IUPAC Name: trisodium [[(E)-4-hydroxy-3-methylbut-2-enoxy]-oxidophosphoryl] phosphate Traditional Name: trisodium [[(E)-4-hydroxy-3-methyl-but-2-enoxy]-oxido-phosphoryl] phosphate Formula: C5H9Na3O8P2 MolecularWeight: 328.036992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOP(=O)([O-])OP(=O)([O-])[O-])CO.[Na+].[Na+].[Na+]

Isomeric SMILES

C/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/CO.[Na+].[Na+].[Na+]

InChI

InChI=1S/C5H12O8P2.3Na/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9;;;/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9);;;/q;3*+1/p-3/b5-2+;;;