tetrasodium [2-methyl-5-(4-methyl-4-phosphonatooxy-pentoxy)pentan-2-yl] phosphate

Systemtic Name: tetrasodium [2-methyl-5-(4-methyl-4-phosphonatooxy-pentoxy)pentan-2-yl] phosphate Openeye Name: tetrasodium [1,1-dimethyl-4-(4-methyl-4-phosphonatooxy-pentoxy)butyl] phosphate CAS Name: tetrasodium [2-methyl-5-(4-methyl-4-phosphonatooxypentoxy)pentan-2-yl] phosphate IUPAC Name: tetrasodium [2-methyl-5-(4-methyl-4-phosphonatooxypentoxy)pentan-2-yl] phosphate Traditional Name: tetrasodium [1,1-dimethyl-4-(4-methyl-4-phosphato-pentoxy)butyl] phosphate Formula: C12H24Na4O9P2 MolecularWeight: 466.220162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H28O9P2.4Na/c1-11(2,20-22(13,14)15)7-5-9-19-10-6-8-12(3,4)21-23(16,17)18;;;;/h5-10H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;;;/q;4*+1/p-4