2-[[9,10-bis(bromanyl)-18-(1-octadecanoyloxypropan-2-yloxy)-18-oxidanylidene-octadecan-8-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[9,10-bis(bromanyl)-18-(1-octadecanoyloxypropan-2-yloxy)-18-oxidanylidene-octadecan-8-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2,3-dibromo-1-heptyl-11-(1-methyl-2-octadecanoyloxy-ethoxy)-11-oxo-undecoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[9,10-dibromo-18-oxo-18-[1-(1-oxooctadecoxy)propan-2-yloxy]octadecan-8-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[9,10-dibromo-18-(1-octadecanoyloxypropan-2-yloxy)-18-oxooctadecan-8-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2,3-dibromo-1-heptyl-11-keto-11-(1-methyl-2-stearoyloxy-ethoxy)undecoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H87Br2NO8P+ MolecularWeight: 948.945241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC(C(C(CCCCCCC)OP(=O)(O)OCC[N+](C)(C)C)Br)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC(C(C(CCCCCCC)OP(=O)(O)OCC[N+](C)(C)C)Br)Br

InChI

InChI=1S/C44H86Br2NO8P/c1-7-9-11-13-14-15-16-17-18-19-20-21-22-26-30-34-42(48)52-38-39(3)54-43(49)35-31-27-23-25-28-32-40(45)44(46)41(33-29-24-12-10-8-2)55-56(50,51)53-37-36-47(4,5)6/h39-41,44H,7-38H2,1-6H3/p+1