[(4R,5R)-2,2-dimethyl-4-[(E)-pentadec-1-enyl]-1,3-dioxan-5-yl] methanesulfonate

Systemtic Name: [(4R,5R)-2,2-dimethyl-4-[(E)-pentadec-1-enyl]-1,3-dioxan-5-yl] methanesulfonate Openeye Name: [(4R,5R)-2,2-dimethyl-4-[(E)-pentadec-1-enyl]-1,3-dioxan-5-yl] methanesulfonate CAS Name: methanesulfonic acid [(4R,5R)-2,2-dimethyl-4-[(E)-pentadec-1-enyl]-1,3-dioxan-5-yl] ester IUPAC Name: [(4R,5R)-2,2-dimethyl-4-[(E)-pentadec-1-enyl]-1,3-dioxan-5-yl] methanesulfonate Traditional Name: methanesulfonic acid [(4R,5R)-2,2-dimethyl-4-[(E)-pentadec-1-enyl]-1,3-dioxan-5-yl] ester Formula: C22H42O5S MolecularWeight: 418.63088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC1C(COC(O1)(C)C)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@@H]1[C@@H](COC(O1)(C)C)OS(=O)(=O)C

InChI

InChI=1S/C22H42O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(27-28(4,23)24)19-25-22(2,3)26-20/h17-18,20-21H,5-16,19H2,1-4H3/b18-17+/t20-,21-/m1/s1