2-[(2-icosanoyloxy-1-oxidanyl-4-oxidanylidene-tricosan-3-yl)oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(2-icosanoyloxy-1-oxidanyl-4-oxidanylidene-tricosan-3-yl)oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hydroxy-[1-(2-hydroxy-1-icosanoyloxy-ethyl)-2-oxo-henicosoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[1-hydroxy-4-oxo-2-(1-oxoeicosoxy)tricosan-3-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(1-hydroxy-2-icosanoyloxy-4-oxotricosan-3-yl)oxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(1-eicosanoyloxy-2-hydroxy-ethyl)-2-keto-heneicosoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C48H97NO8P+ MolecularWeight: 847.259441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-45(51)48(57-58(53,54)55-43-42-49(3,4)5)46(44-50)56-47(52)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h46,48,50H,6-44H2,1-5H3/p+1