[(2S,4R,5R)-2-methyl-4-[(1R)-1-oxidanylpentadec-3-ynyl]-1,3-dioxan-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(2S,4R,5R)-2-methyl-4-[(1R)-1-oxidanylpentadec-3-ynyl]-1,3-dioxan-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(2S,4R,5R)-4-[(1R)-1-hydroxypentadec-3-ynyl]-2-methyl-1,3-dioxan-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(2S,4R,5R)-4-[(1R)-1-hydroxypentadec-3-ynyl]-2-methyl-1,3-dioxan-5-yl] ester IUPAC Name: [(2S,4R,5R)-4-[(1R)-1-hydroxypentadec-3-ynyl]-2-methyl-1,3-dioxan-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(2S,4R,5R)-4-[(1R)-1-hydroxypentadec-3-ynyl]-2-methyl-1,3-dioxan-5-yl] ester Formula: C21H35F3O6S MolecularWeight: 472.55921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CCC(C1C(COC(O1)C)OS(=O)(=O)C(F)(F)F)O

Isomeric SMILES

CCCCCCCCCCCC#CC[C@H]([C@@H]1[C@@H](CO[C@@H](O1)C)OS(=O)(=O)C(F)(F)F)O

InChI

InChI=1S/C21H35F3O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(25)20-19(16-28-17(2)29-20)30-31(26,27)21(22,23)24/h17-20,25H,3-12,15-16H2,1-2H3/t17-,18+,19+,20+/m0/s1