3-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-oxidanyl-phosphoryl]propyl-trimethyl-azanium

Systemtic Name: 3-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-oxidanyl-phosphoryl]propyl-trimethyl-azanium Openeye Name: 3-[[2-acetoxy-3-(4-dodecylphenoxy)propoxy]-hydroxy-phosphoryl]propyl-trimethyl-ammonium CAS Name: 3-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-hydroxyphosphoryl]propyl-trimethylammonium IUPAC Name: 3-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-hydroxyphosphoryl]propyl-trimethylazanium Traditional Name: 3-[[2-acetoxy-3-(4-laurylphenoxy)propoxy]-hydroxy-phosphoryl]propyl-trimethyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(=O)(CCC[N+](C)(C)C)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(=O)(CCC[N+](C)(C)C)O)OC(=O)C

InChI

InChI=1S/C29H52NO6P/c1-6-7-8-9-10-11-12-13-14-15-17-27-18-20-28(21-19-27)34-24-29(36-26(2)31)25-35-37(32,33)23-16-22-30(3,4)5/h18-21,29H,6-17,22-25H2,1-5H3/p+1