2-[[3-(2-hexadecylphenoxy)-2-propanoyloxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(2-hexadecylphenoxy)-2-propanoyloxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-dimethyl-azanium Openeye Name: 2-[[3-(2-hexadecylphenoxy)-2-propanoyloxy-propoxy]-hydroxy-phosphanyl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[3-(2-hexadecylphenoxy)-2-(1-oxopropoxy)propoxy]-hydroxyphosphino]oxyethyl-dimethylammonium IUPAC Name: 2-[[3-(2-hexadecylphenoxy)-2-propanoyloxypropoxy]-hydroxyphosphanyl]oxyethyl-dimethylazanium Traditional Name: 2-[[3-(2-cetylphenoxy)-2-propionyloxy-propoxy]-hydroxy-phosphino]oxyethyl-dimethyl-ammonium Formula: C32H59NO6P+ MolecularWeight: 584.787721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H58NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-23-20-21-24-31(29)36-27-30(39-32(34)6-2)28-38-40(35)37-26-25-33(3)4/h20-21,23-24,30,35H,5-19,22,25-28H2,1-4H3/p+1