pentasodium [3-methyl-1-[oxidanidyl(phosphonatooxy)phosphoryl]oxy-but-3-en-2-yl] phosphate

Systemtic Name: pentasodium [3-methyl-1-[oxidanidyl(phosphonatooxy)phosphoryl]oxy-but-3-en-2-yl] phosphate Openeye Name: pentasodium [2-methyl-1-[[oxido(phosphonatooxy)phosphoryl]oxymethyl]allyl] phosphate CAS Name: pentasodium [3-methyl-1-[oxido(phosphonatooxy)phosphoryl]oxybut-3-en-2-yl] phosphate IUPAC Name: pentasodium [3-methyl-1-[oxido(phosphonatooxy)phosphoryl]oxybut-3-en-2-yl] phosphate Traditional Name: pentasodium [2-methyl-1-[[oxido(phosphato)phosphoryl]oxymethyl]allyl] phosphate Formula: C5H8Na5O11P3 MolecularWeight: 451.980553

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(COP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=C)C(COP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C5H13O11P3.5Na/c1-4(2)5(15-17(6,7)8)3-14-19(12,13)16-18(9,10)11;;;;;/h5H,1,3H2,2H3,(H,12,13)(H2,6,7,8)(H2,9,10,11);;;;;/q;5*+1/p-5