[(2R,3R,4R)-1,3,4-tris(oxidanyl)docosan-2-yl] methanesulfonate

Systemtic Name: [(2R,3R,4R)-1,3,4-tris(oxidanyl)docosan-2-yl] methanesulfonate Openeye Name: [(1R,2R,3R)-2,3-dihydroxy-1-(hydroxymethyl)henicosyl] methanesulfonate CAS Name: methanesulfonic acid [(2R,3R,4R)-1,3,4-trihydroxydocosan-2-yl] ester IUPAC Name: [(2R,3R,4R)-1,3,4-trihydroxydocosan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1R,2R,3R)-2,3-dihydroxy-1-methylol-heneicosyl] ester Formula: C23H48O6S MolecularWeight: 452.68862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(C(CO)OS(=O)(=O)C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[C@H]([C@H]([C@@H](CO)OS(=O)(=O)C)O)O

InChI

InChI=1S/C23H48O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)23(26)22(20-24)29-30(2,27)28/h21-26H,3-20H2,1-2H3/t21-,22-,23-/m1/s1