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

Systemtic Name: triazanium [[(E)-3-methyl-4-tritiooxy-but-2-enoxy]-oxidanidyl-phosphoryl] phosphate Openeye Name: triammonium [[(E)-3-methyl-4-tritiooxy-but-2-enoxy]-oxido-phosphoryl] phosphate CAS Name: triammonium [[(E)-3-methyl-4-tritiooxybut-2-enoxy]-oxidophosphoryl] phosphate IUPAC Name: triazanium [[(E)-3-methyl-4-tritiooxybut-2-enoxy]-oxidophosphoryl] phosphate Traditional Name: triammonium [[(E)-3-methyl-4-tritiooxy-but-2-enoxy]-oxido-phosphoryl] phosphate Formula: C5H21N3O8P2 MolecularWeight: 315.191171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[3H]OC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C.[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C5H12O8P2.3H3N/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);3*1H3/b5-2+;;;/i6T;;;