2-[[2-hexadecylsulfanyl-2-[(16-oxidanyl-16-oxidanylidene-hexadecyl)amino]ethoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-hexadecylsulfanyl-2-[(16-oxidanyl-16-oxidanylidene-hexadecyl)amino]ethoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-hexadecylsulfanyl-2-[(16-hydroxy-16-oxo-hexadecyl)amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-(hexadecylthio)-2-[(16-hydroxy-16-oxohexadecyl)amino]ethoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-hexadecylsulfanyl-2-[(16-hydroxy-16-oxohexadecyl)amino]ethoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-(cetylthio)-2-[(16-hydroxy-16-keto-hexadecyl)amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C39H82N2O6PS+ MolecularWeight: 738.116941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(COP(=O)(O)OCC[N+](C)(C)C)NCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(COP(=O)(O)OCC[N+](C)(C)C)NCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C39H81N2O6PS/c1-5-6-7-8-9-10-11-12-16-19-22-25-28-31-36-49-38(37-47-48(44,45)46-35-34-41(2,3)4)40-33-30-27-24-21-18-15-13-14-17-20-23-26-29-32-39(42)43/h38,40H,5-37H2,1-4H3,(H-,42,43,44,45)/p+1