[(7S,8S)-2-methyl-8-(oxan-2-yloxy)octadecan-7-yl] methanesulfonate

Systemtic Name: [(7S,8S)-2-methyl-8-(oxan-2-yloxy)octadecan-7-yl] methanesulfonate Openeye Name: [(1S,2S)-1-(5-methylhexyl)-2-tetrahydropyran-2-yloxy-dodecyl] methanesulfonate CAS Name: methanesulfonic acid [(7S,8S)-2-methyl-8-(2-oxanyloxy)octadecan-7-yl] ester IUPAC Name: [(7S,8S)-2-methyl-8-(oxan-2-yloxy)octadecan-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2S)-1-(5-methylhexyl)-2-tetrahydropyran-2-yloxy-dodecyl] ester Formula: C25H50O5S MolecularWeight: 462.7265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CCCCC(C)C)OS(=O)(=O)C)OC1CCCCO1

Isomeric SMILES

CCCCCCCCCC[C@@H]([C@H](CCCCC(C)C)OS(=O)(=O)C)OC1CCCCO1

InChI

InChI=1S/C25H50O5S/c1-5-6-7-8-9-10-11-12-18-23(29-25-20-15-16-21-28-25)24(30-31(4,26)27)19-14-13-17-22(2)3/h22-25H,5-21H2,1-4H3/t23-,24-,25?/m0/s1