(2-hexanoyloxy-3-hexanoylsulfanyl-propyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (2-hexanoyloxy-3-hexanoylsulfanyl-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (2-hexanoyloxy-3-hexanoylsulfanyl-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(1-oxohexoxy)-3-(1-oxohexylthio)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (2-hexanoyloxy-3-hexanoylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-caproyloxy-3-(caproylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C20H40NO7PS MolecularWeight: 469.572861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(COP(=O)([O-])OCC[N+](C)(C)C)CSC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OC(COP(=O)([O-])OCC[N+](C)(C)C)CSC(=O)CCCCC

InChI

InChI=1S/C20H40NO7PS/c1-6-8-10-12-19(22)28-18(17-30-20(23)13-11-9-7-2)16-27-29(24,25)26-15-14-21(3,4)5/h18H,6-17H2,1-5H3