2-[[2-(diphenoxyphosphanyloxymethyl)-3-hexadecoxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-(diphenoxyphosphanyloxymethyl)-3-hexadecoxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-(diphenoxyphosphanyloxymethyl)-3-hexadecoxy-propoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-(diphenoxyphosphinooxymethyl)-3-hexadecoxypropoxy]-hydroxyphosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-(diphenoxyphosphanyloxymethyl)-3-hexadecoxypropoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-(cetyloxymethyl)-3-diphenoxyphosphinooxy-propoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C37H64NO7P2+ MolecularWeight: 696.854082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(O)OCC[N+](C)(C)C)COP(OC1=CC=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(O)OCC[N+](C)(C)C)COP(OC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C37H64NO7P2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-40-32-35(33-42-46(39)41-31-29-38(2,3)4)34-43-47(44-36-25-20-18-21-26-36)45-37-27-22-19-23-28-37/h18-23,25-28,35,39H,5-17,24,29-34H2,1-4H3/q+1