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

Systemtic Name: 2-[[2-butanoyloxy-3-(3-tetradecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-dimethyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(3-tetradecylphenoxy)propoxy]-hydroxy-phosphanyl]oxyethyl-dimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxobutoxy)-3-(3-tetradecylphenoxy)propoxy]phosphino]oxyethyl-dimethylammonium IUPAC Name: 2-[[2-butanoyloxy-3-(3-tetradecylphenoxy)propoxy]-hydroxyphosphanyl]oxyethyl-dimethylazanium Traditional Name: 2-[[2-butyryloxy-3-(3-myristylphenoxy)propoxy]-hydroxy-phosphino]oxyethyl-dimethyl-ammonium Formula: C31H57NO6P+ MolecularWeight: 570.761141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-28-21-18-22-29(25-28)35-26-30(38-31(33)19-6-2)27-37-39(34)36-24-23-32(3)4/h18,21-22,25,30,34H,5-17,19-20,23-24,26-27H2,1-4H3/p+1