dodecyl [3-[dodecyl(dimethyl)azaniumyl]-2-oxidanyl-propyl] phosphate

Systemtic Name: dodecyl [3-[dodecyl(dimethyl)azaniumyl]-2-oxidanyl-propyl] phosphate Openeye Name: dodecyl [3-[dodecyl(dimethyl)ammonio]-2-hydroxy-propyl] phosphate CAS Name: dodecyl [3-[dodecyl(dimethyl)ammonio]-2-hydroxypropyl] phosphate IUPAC Name: dodecyl [3-[dodecyl(dimethyl)azaniumyl]-2-hydroxypropyl] phosphate Traditional Name: [2-hydroxy-3-[lauryl(dimethyl)ammonio]propyl] lauryl phosphate Formula: C29H62NO5P MolecularWeight: 535.780041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC(COP(=O)([O-])OCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC(COP(=O)([O-])OCCCCCCCCCCCC)O

InChI

InChI=1S/C29H62NO5P/c1-5-7-9-11-13-15-17-19-21-23-25-30(3,4)27-29(31)28-35-36(32,33)34-26-24-22-20-18-16-14-12-10-8-6-2/h29,31H,5-28H2,1-4H3