3-[[2-acetyloxy-3-(2-hexadecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxypropyl-trimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H61NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-24-20-21-25-33(31)37-28-32(40-30(2)35)29-39-41(36)38-27-22-26-34(3,4)5/h20-21,24-25,32,36H,6-19,22-23,26-29H2,1-5H3/q+1