2-[[(2R)-2-docosanoyloxy-3-icosanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-dimethyl-sulfanium

Systemtic Name: 2-[[(2R)-2-docosanoyloxy-3-icosanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-dimethyl-sulfanium Openeye Name: 2-[[(2R)-2-docosanoyloxy-3-icosanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-dimethyl-sulfonium CAS Name: 2-[hydroxy-[(2R)-2-(1-oxodocosoxy)-3-(1-oxoeicosoxy)propoxy]phosphoryl]oxyethyl-dimethylsulfonium IUPAC Name: 2-[[(2R)-2-docosanoyloxy-3-icosanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-dimethylsulfanium Traditional Name: 2-[[(2R)-2-docosanoyloxy-3-eicosanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-dimethyl-sulfonium Formula: C49H98O8PS+ MolecularWeight: 878.336381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[S+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[S+](C)C

InChI

InChI=1S/C49H97O8PS/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(51)57-47(46-56-58(52,53)55-43-44-59(3)4)45-54-48(50)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h47H,5-46H2,1-4H3/p+1/t47-/m1/s1