4-[[3-(2-hexadecylphenoxy)-2-methanoyloxy-propoxy]-oxidanyl-phosphanyl]oxybutyl-dimethyl-azanium

Systemtic Name: 4-[[3-(2-hexadecylphenoxy)-2-methanoyloxy-propoxy]-oxidanyl-phosphanyl]oxybutyl-dimethyl-azanium Openeye Name: 4-[[2-formyloxy-3-(2-hexadecylphenoxy)propoxy]-hydroxy-phosphanyl]oxybutyl-dimethyl-ammonium CAS Name: 4-[[2-formyloxy-3-(2-hexadecylphenoxy)propoxy]-hydroxyphosphino]oxybutyl-dimethylammonium IUPAC Name: 4-[[2-formyloxy-3-(2-hexadecylphenoxy)propoxy]-hydroxyphosphanyl]oxybutyl-dimethylazanium Traditional Name: 4-[[3-(2-cetylphenoxy)-2-formyloxy-propoxy]-hydroxy-phosphino]oxybutyl-dimethyl-ammonium Formula: C32H59NO6P+ MolecularWeight: 584.787721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(O)OCCCC[NH+](C)C)OC=O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(O)OCCCC[NH+](C)C)OC=O

InChI

InChI=1S/C32H58NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-23-18-19-24-32(30)36-27-31(37-29-34)28-39-40(35)38-26-21-20-25-33(2)3/h18-19,23-24,29,31,35H,4-17,20-22,25-28H2,1-3H3/p+1