[(2S,6S)-6-methylsulfonyloxyhenicosan-2-yl] methanesulfonate

Systemtic Name: [(2S,6S)-6-methylsulfonyloxyhenicosan-2-yl] methanesulfonate Openeye Name: [(1S,5S)-1-methyl-5-methylsulfonyloxy-icosyl] methanesulfonate CAS Name: methanesulfonic acid [(2S,6S)-6-methylsulfonyloxyheneicosan-2-yl] ester IUPAC Name: [(2S,6S)-6-methylsulfonyloxyhenicosan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,5S)-1-methyl-5-methylsulfonyloxy-eicosyl] ester Formula: C23H48O6S2 MolecularWeight: 484.75362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCC(C)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC[C@@H](CCC[C@H](C)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C23H48O6S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(29-31(4,26)27)21-18-19-22(2)28-30(3,24)25/h22-23H,5-21H2,1-4H3/t22-,23-/m0/s1