tetrasodium [2-methyl-6-(5-methyl-5-phosphonatooxy-hexoxy)hexan-2-yl] phosphate

Systemtic Name: tetrasodium [2-methyl-6-(5-methyl-5-phosphonatooxy-hexoxy)hexan-2-yl] phosphate Openeye Name: tetrasodium [1,1-dimethyl-5-(5-methyl-5-phosphonatooxy-hexoxy)pentyl] phosphate CAS Name: tetrasodium [2-methyl-6-(5-methyl-5-phosphonatooxyhexoxy)hexan-2-yl] phosphate IUPAC Name: tetrasodium [2-methyl-6-(5-methyl-5-phosphonatooxyhexoxy)hexan-2-yl] phosphate Traditional Name: tetrasodium [1,1-dimethyl-5-(5-methyl-5-phosphato-hexoxy)pentyl] phosphate Formula: C14H28Na4O9P2 MolecularWeight: 494.273322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H32O9P2.4Na/c1-13(2,22-24(15,16)17)9-5-7-11-21-12-8-6-10-14(3,4)23-25(18,19)20;;;;/h5-12H2,1-4H3,(H2,15,16,17)(H2,18,19,20);;;;/q;4*+1/p-4