[(E,4R,5R,6S)-2,4,6-trimethyl-1-oxidanyl-non-2-en-5-yl] methanesulfonate

Systemtic Name: [(E,4R,5R,6S)-2,4,6-trimethyl-1-oxidanyl-non-2-en-5-yl] methanesulfonate Openeye Name: [(E,1R,2R)-5-hydroxy-2,4-dimethyl-1-[(1S)-1-methylbutyl]pent-3-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E,4R,5R,6S)-1-hydroxy-2,4,6-trimethylnon-2-en-5-yl] ester IUPAC Name: [(E,4R,5R,6S)-1-hydroxy-2,4,6-trimethylnon-2-en-5-yl] methanesulfonate Traditional Name: methanesulfonic acid [(E,1R,2R)-5-hydroxy-2,4-dimethyl-1-[(1S)-1-methylbutyl]pent-3-enyl] ester Formula: C13H26O4S MolecularWeight: 278.40814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C(C)C=C(C)CO)OS(=O)(=O)C

Isomeric SMILES

CCC[C@H](C)[C@H]([C@H](C)/C=C(\C)/CO)OS(=O)(=O)C

InChI

InChI=1S/C13H26O4S/c1-6-7-11(3)13(17-18(5,15)16)12(4)8-10(2)9-14/h8,11-14H,6-7,9H2,1-5H3/b10-8+/t11-,12+,13+/m0/s1