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

Systemtic Name: 4-[[2-acetyloxy-3-(3-tetradecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxybutyl-dimethyl-azanium Openeye Name: 4-[[2-acetoxy-3-(3-tetradecylphenoxy)propoxy]-hydroxy-phosphanyl]oxybutyl-dimethyl-ammonium CAS Name: 4-[[2-acetyloxy-3-(3-tetradecylphenoxy)propoxy]-hydroxyphosphino]oxybutyl-dimethylammonium IUPAC Name: 4-[[2-acetyloxy-3-(3-tetradecylphenoxy)propoxy]-hydroxyphosphanyl]oxybutyl-dimethylazanium Traditional Name: 4-[[2-acetoxy-3-(3-myristylphenoxy)propoxy]-hydroxy-phosphino]oxybutyl-dimethyl-ammonium Formula: C31H57NO6P+ MolecularWeight: 570.761141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCCC[NH+](C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCCC[NH+](C)C)OC(=O)C

InChI

InChI=1S/C31H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-29-21-19-22-30(25-29)35-26-31(38-28(2)33)27-37-39(34)36-24-18-17-23-32(3)4/h19,21-22,25,31,34H,5-18,20,23-24,26-27H2,1-4H3/p+1