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

Systemtic Name: 4-[[3-(2-hexadecylphenoxy)-2-methanoyloxy-propoxy]-oxidanyl-phosphanyl]oxybutyl-trimethyl-azanium Openeye Name: 4-[[2-formyloxy-3-(2-hexadecylphenoxy)propoxy]-hydroxy-phosphanyl]oxybutyl-trimethyl-ammonium CAS Name: 4-[[2-formyloxy-3-(2-hexadecylphenoxy)propoxy]-hydroxyphosphino]oxybutyl-trimethylammonium IUPAC Name: 4-[[2-formyloxy-3-(2-hexadecylphenoxy)propoxy]-hydroxyphosphanyl]oxybutyl-trimethylazanium Traditional Name: 4-[[3-(2-cetylphenoxy)-2-formyloxy-propoxy]-hydroxy-phosphino]oxybutyl-trimethyl-ammonium Formula: C33H61NO6P+ MolecularWeight: 598.814301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H61NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31-24-19-20-25-33(31)37-28-32(38-30-35)29-40-41(36)39-27-22-21-26-34(2,3)4/h19-20,24-25,30,32,36H,5-18,21-23,26-29H2,1-4H3/q+1