(2-methyl-5-oxidanylidene-cyclopenten-1-yl) 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-methyl-5-oxidanylidene-cyclopenten-1-yl) 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: (2-methyl-5-oxo-cyclopenten-1-yl) 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (2-methyl-5-oxo-1-cyclopentenyl) ester IUPAC Name: (2-methyl-5-oxocyclopenten-1-yl) 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (5-keto-2-methyl-cyclopenten-1-yl) ester Formula: C14H10F6O4S MolecularWeight: 388.282219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC1)OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C(=O)CC1)OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C14H10F6O4S/c1-7-2-3-11(21)12(7)24-25(22,23)10-5-8(13(15,16)17)4-9(6-10)14(18,19)20/h4-6H,2-3H2,1H3