triazanium [[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enoxy]-oxidanidyl-phosphoryl] phosphate

Systemtic Name: triazanium [[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enoxy]-oxidanidyl-phosphoryl] phosphate Openeye Name: triammonium [[(E)-3-methyl-4-tetrahydropyran-2-yloxy-but-2-enoxy]-oxido-phosphoryl] phosphate CAS Name: triammonium [[(E)-3-methyl-4-(2-oxanyloxy)but-2-enoxy]-oxidophosphoryl] phosphate IUPAC Name: triazanium [[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enoxy]-oxidophosphoryl] phosphate Traditional Name: triammonium [[(E)-3-methyl-4-tetrahydropyran-2-yloxy-but-2-enoxy]-oxido-phosphoryl] phosphate Formula: C10H29N3O9P2 MolecularWeight: 397.299482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOP(=O)([O-])OP(=O)([O-])[O-])COC1CCCCO1.[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/COC1CCCCO1.[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C10H20O9P2.3H3N/c1-9(8-17-10-4-2-3-6-16-10)5-7-18-21(14,15)19-20(11,12)13;;;/h5,10H,2-4,6-8H2,1H3,(H,14,15)(H2,11,12,13);3*1H3/b9-5+;;;