4-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxybutyl-dimethyl-azanium

Systemtic Name: 4-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxybutyl-dimethyl-azanium Openeye Name: 4-[[2-acetoxy-3-(4-dodecylphenoxy)propoxy]-hydroxy-phosphanyl]oxybutyl-dimethyl-ammonium CAS Name: 4-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-hydroxyphosphino]oxybutyl-dimethylammonium IUPAC Name: 4-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-hydroxyphosphanyl]oxybutyl-dimethylazanium Traditional Name: 4-[[2-acetoxy-3-(4-laurylphenoxy)propoxy]-hydroxy-phosphino]oxybutyl-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)OCCCC[NH+](C)C)OC(=O)C

Isomeric SMILES

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

InChI

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