dodecyl-[3-methyl-2,4-bis(oxidanyl)pentan-3-yl]azanium phosphate

Systemtic Name: dodecyl-[3-methyl-2,4-bis(oxidanyl)pentan-3-yl]azanium phosphate Openeye Name: dodecyl-[2-hydroxy-1-(1-hydroxyethyl)-1-methyl-propyl]ammonium phosphate CAS Name: (2,4-dihydroxy-3-methylpentan-3-yl)-dodecylammonium phosphate IUPAC Name: (2,4-dihydroxy-3-methylpentan-3-yl)-dodecylazanium phosphate Traditional Name: [2-hydroxy-1-(1-hydroxyethyl)-1-methyl-propyl]-lauryl-ammonium phosphate Formula: C18H40NO6P-2 MolecularWeight: 397.487061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH2+]C(C)(C(C)O)C(C)O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCC[NH2+]C(C)(C(C)O)C(C)O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C18H39NO2.H3O4P/c1-5-6-7-8-9-10-11-12-13-14-15-19-18(4,16(2)20)17(3)21;1-5(2,3)4/h16-17,19-21H,5-15H2,1-4H3;(H3,1,2,3,4)/p-2