2-[[(2S)-3-hexadecanoyloxy-2-hexadecanoylsulfanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S)-3-hexadecanoyloxy-2-hexadecanoylsulfanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-3-hexadecanoyloxy-2-hexadecanoylsulfanyl-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2S)-3-(1-oxohexadecoxy)-2-(1-oxohexadecylthio)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-3-hexadecanoyloxy-2-hexadecanoylsulfanylpropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-3-hexadecanoyloxy-2-(hexadecanoylthio)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C40H81NO7PS+ MolecularWeight: 751.112401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)SC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)SC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C40H80NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-49(44,45)47-35-34-41(3,4)5)50-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m0/s1