[(5R)-5-methyl-6-oxidanylidene-5-[(E,2S)-pent-3-en-2-yl]cyclohexen-1-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(5R)-5-methyl-6-oxidanylidene-5-[(E,2S)-pent-3-en-2-yl]cyclohexen-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(5R)-5-methyl-5-[(E,1S)-1-methylbut-2-enyl]-6-oxo-cyclohexen-1-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(5R)-5-methyl-6-oxo-5-[(E,2S)-pent-3-en-2-yl]-1-cyclohexenyl] ester IUPAC Name: [(5R)-5-methyl-6-oxo-5-[(E,2S)-pent-3-en-2-yl]cyclohexen-1-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(5R)-6-keto-5-methyl-5-[(E,1S)-1-methylbut-2-enyl]cyclohexen-1-yl] ester Formula: C13H17F3O4S MolecularWeight: 326.33189

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C)C1(CCC=C(C1=O)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

C/C=C/[C@H](C)[C@]1(CCC=C(C1=O)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C13H17F3O4S/c1-4-6-9(2)12(3)8-5-7-10(11(12)17)20-21(18,19)13(14,15)16/h4,6-7,9H,5,8H2,1-3H3/b6-4+/t9-,12+/m0/s1