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

Systemtic Name: [(2R)-3-hexadecoxy-2-octanoylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-3-hexadecoxy-2-octanoylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-3-hexadecoxy-2-(1-oxooctylthio)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-3-hexadecoxy-2-octanoylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2-(caprylylthio)-3-cetyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C32H66NO6PS MolecularWeight: 623.908301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H66NO6PS/c1-6-8-10-12-13-14-15-16-17-18-19-20-22-24-27-37-29-31(41-32(34)25-23-21-11-9-7-2)30-39-40(35,36)38-28-26-33(3,4)5/h31H,6-30H2,1-5H3/t31-/m1/s1