[(2R)-2-ethanoylsulfanyl-3-hexadecoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-2-ethanoylsulfanyl-3-hexadecoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-2-acetylsulfanyl-3-hexadecoxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-2-(acetylthio)-3-hexadecoxypropyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-2-acetylsulfanyl-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2-(acetylthio)-3-cetyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C26H54NO6PS MolecularWeight: 539.748821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)C

InChI

InChI=1S/C26H54NO6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(35-25(2)28)24-33-34(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1