(2-hexadecoxy-3-hexadecylsulfanyl-propoxy)-[3-(trimethylazaniumyl)propyl]phosphinate

Systemtic Name: (2-hexadecoxy-3-hexadecylsulfanyl-propoxy)-[3-(trimethylazaniumyl)propyl]phosphinate Openeye Name: (2-hexadecoxy-3-hexadecylsulfanyl-propoxy)-[3-(trimethylammonio)propyl]phosphinate CAS Name: [2-hexadecoxy-3-(hexadecylthio)propoxy]-[3-(trimethylammonio)propyl]phosphinate IUPAC Name: (2-hexadecoxy-3-hexadecylsulfanylpropoxy)-[3-(trimethylazaniumyl)propyl]phosphinate Traditional Name: [2-cetyloxy-3-(cetylthio)propoxy]-[3-(trimethylammonio)propyl]phosphinate Formula: C41H86NO4PS MolecularWeight: 720.164601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(COP(=O)(CCC[N+](C)(C)C)[O-])CSCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(COP(=O)(CCC[N+](C)(C)C)[O-])CSCCCCCCCCCCCCCCCC

InChI

InChI=1S/C41H86NO4PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-45-41(39-46-47(43,44)37-34-35-42(3,4)5)40-48-38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3