[(2S)-3-hexadecanoyloxy-2-hexadecanoylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2S)-3-hexadecanoyloxy-2-hexadecanoylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-3-hexadecanoyloxy-2-hexadecanoylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(1-oxohexadecoxy)-2-(1-oxohexadecylthio)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-3-hexadecanoyloxy-2-hexadecanoylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-3-hexadecanoyloxy-2-(hexadecanoylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C40H80NO7PS MolecularWeight: 750.104461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C40H80NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-49(44,45)47-35-34-41(3,4)5)50-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m0/s1