pentasodium [(E)-2-methyl-4-[oxidanidyl(phosphonatooxy)phosphoryl]oxy-but-2-enyl] phosphate

Systemtic Name: pentasodium [(E)-2-methyl-4-[oxidanidyl(phosphonatooxy)phosphoryl]oxy-but-2-enyl] phosphate Openeye Name: pentasodium [(E)-2-methyl-4-[oxido(phosphonatooxy)phosphoryl]oxy-but-2-enyl] phosphate CAS Name: pentasodium [(E)-2-methyl-4-[oxido(phosphonatooxy)phosphoryl]oxybut-2-enyl] phosphate IUPAC Name: pentasodium [(E)-2-methyl-4-[oxido(phosphonatooxy)phosphoryl]oxybut-2-enyl] phosphate Traditional Name: pentasodium [(E)-2-methyl-4-[oxido(phosphato)phosphoryl]oxy-but-2-enyl] phosphate Formula: C5H8Na5O11P3 MolecularWeight: 451.980553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H13O11P3.5Na/c1-5(4-15-17(6,7)8)2-3-14-19(12,13)16-18(9,10)11;;;;;/h2H,3-4H2,1H3,(H,12,13)(H2,6,7,8)(H2,9,10,11);;;;;/q;5*+1/p-5/b5-2+;;;;;