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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(O)OCCCC[NH2+]CC)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(O)OCCCC[NH2+]CC)OC(=O)C

InChI

InChI=1S/C31H56NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-21-29-22-17-18-23-31(29)35-26-30(38-28(3)33)27-37-39(34)36-25-20-19-24-32-5-2/h17-18,22-23,30,32,34H,4-16,19-21,24-27H2,1-3H3/p+1