2-[[2-(hexadecoxymethyl)-3-hexadecylsulfanyl-propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-(hexadecoxymethyl)-3-hexadecylsulfanyl-propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-(hexadecoxymethyl)-3-hexadecylsulfanyl-propoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-(hexadecoxymethyl)-3-(hexadecylthio)propoxy]-hydroxyphosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-(hexadecoxymethyl)-3-hexadecylsulfanylpropoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-(cetyloxymethyl)-3-(cetylthio)propoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C41H87NO4PS+ MolecularWeight: 721.172541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(O)OCC[N+](C)(C)C)CSCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(O)OCC[N+](C)(C)C)CSCCCCCCCCCCCCCCCC

InChI

InChI=1S/C41H87NO4PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-44-38-41(39-46-47(43)45-36-34-42(3,4)5)40-48-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41,43H,6-40H2,1-5H3/q+1