2-[(2-acetyloxy-3-octadecylsulfanyl-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(2-acetyloxy-3-octadecylsulfanyl-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-acetoxy-3-octadecylsulfanyl-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-acetyloxy-3-(octadecylthio)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-acetyloxy-3-octadecylsulfanylpropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-acetoxy-3-(stearylthio)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C28H59NO6PS+ MolecularWeight: 568.809921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C

InChI

InChI=1S/C28H58NO6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-37-26-28(35-27(2)30)25-34-36(31,32)33-23-22-29(3,4)5/h28H,6-26H2,1-5H3/p+1