2-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-ethyl-azanium

Systemtic Name: 2-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-ethyl-azanium Openeye Name: 2-[[2-acetoxy-3-(4-dodecylphenoxy)propoxy]-hydroxy-phosphanyl]oxyethyl-ethyl-ammonium CAS Name: 2-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-hydroxyphosphino]oxyethyl-ethylammonium IUPAC Name: 2-[[2-acetyloxy-3-(4-dodecylphenoxy)propoxy]-hydroxyphosphanyl]oxyethyl-ethylazanium Traditional Name: 2-[[2-acetoxy-3-(4-laurylphenoxy)propoxy]-hydroxy-phosphino]oxyethyl-ethyl-ammonium Formula: C27H49NO6P+ MolecularWeight: 514.654821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(O)OCC[NH2+]CC)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(O)OCC[NH2+]CC)OC(=O)C

InChI

InChI=1S/C27H48NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-25-16-18-26(19-17-25)31-22-27(34-24(3)29)23-33-35(30)32-21-20-28-5-2/h16-19,27-28,30H,4-15,20-23H2,1-3H3/p+1