[(Z)-1,1,1-tris(fluoranyl)-2-oxidanylidene-hept-3-en-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-1,1,1-tris(fluoranyl)-2-oxidanylidene-hept-3-en-3-yl] 4-methylbenzenesulfonate Openeye Name: [(Z)-1-(2,2,2-trifluoroacetyl)pent-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-1,1,1-trifluoro-2-oxohept-3-en-3-yl] ester IUPAC Name: [(Z)-1,1,1-trifluoro-2-oxohept-3-en-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-1-(2,2,2-trifluoroacetyl)pent-1-enyl] ester Formula: C14H15F3O4S MolecularWeight: 336.32671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3O4S/c1-3-4-5-12(13(18)14(15,16)17)21-22(19,20)11-8-6-10(2)7-9-11/h5-9H,3-4H2,1-2H3/b12-5-