2-[(2-hexanoyloxy-3-hexanoylsulfanyl-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(2-hexanoyloxy-3-hexanoylsulfanyl-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-hexanoyloxy-3-hexanoylsulfanyl-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxohexoxy)-3-(1-oxohexylthio)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-hexanoyloxy-3-hexanoylsulfanylpropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-caproyloxy-3-(caproylthio)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C20H41NO7PS+ MolecularWeight: 470.580801

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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/p+1