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

Systemtic Name: [(2S,4R,5R)-2-methyl-4-[(1R)-1-oxidanylpentadec-3-ynyl]-1,3-dioxan-5-yl] methanesulfonate Openeye Name: [(2S,4R,5R)-4-[(1R)-1-hydroxypentadec-3-ynyl]-2-methyl-1,3-dioxan-5-yl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [(2S,4R,5R)-4-[(1R)-1-hydroxypentadec-3-ynyl]-2-methyl-1,3-dioxan-5-yl] ester Formula: C21H38O6S MolecularWeight: 418.58782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)21-20(27-28(3,23)24)17-25-18(2)26-21/h18-22H,4-13,16-17H2,1-3H3/t18-,19+,20+,21+/m0/s1