2-[[2-butanoyloxy-3-(4-dodecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-dimethyl-azanium

Systemtic Name: 2-[[2-butanoyloxy-3-(4-dodecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-dimethyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(4-dodecylphenoxy)propoxy]-hydroxy-phosphanyl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[3-(4-dodecylphenoxy)-2-(1-oxobutoxy)propoxy]-hydroxyphosphino]oxyethyl-dimethylammonium IUPAC Name: 2-[[2-butanoyloxy-3-(4-dodecylphenoxy)propoxy]-hydroxyphosphanyl]oxyethyl-dimethylazanium Traditional Name: 2-[[2-butyryloxy-3-(4-laurylphenoxy)propoxy]-hydroxy-phosphino]oxyethyl-dimethyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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