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

Systemtic Name: 3-[[2-acetyloxy-3-(2-tetradecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxypropyl-ethyl-azanium Openeye Name: 3-[[2-acetoxy-3-(2-tetradecylphenoxy)propoxy]-hydroxy-phosphanyl]oxypropyl-ethyl-ammonium CAS Name: 3-[[2-acetyloxy-3-(2-tetradecylphenoxy)propoxy]-hydroxyphosphino]oxypropyl-ethylammonium IUPAC Name: 3-[[2-acetyloxy-3-(2-tetradecylphenoxy)propoxy]-hydroxyphosphanyl]oxypropyl-ethylazanium Traditional Name: 3-[[2-acetoxy-3-(2-myristylphenoxy)propoxy]-hydroxy-phosphino]oxypropyl-ethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-28-21-17-18-22-30(28)34-25-29(37-27(3)32)26-36-38(33)35-24-19-23-31-5-2/h17-18,21-22,29,31,33H,4-16,19-20,23-26H2,1-3H3/p+1