ethyl (Z)-3-fluoranyl-4-(4-methylphenyl)sulfonyloxy-3-(trifluoromethyl)hept-4-enoate

Systemtic Name: ethyl (Z)-3-fluoranyl-4-(4-methylphenyl)sulfonyloxy-3-(trifluoromethyl)hept-4-enoate Openeye Name: ethyl (Z)-3-fluoro-4-(p-tolylsulfonyloxy)-3-(trifluoromethyl)hept-4-enoate CAS Name: (Z)-3-fluoro-4-(4-methylphenyl)sulfonyloxy-3-(trifluoromethyl)-4-heptenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-fluoro-4-(4-methylphenyl)sulfonyloxy-3-(trifluoromethyl)hept-4-enoate Traditional Name: (Z)-3-fluoro-4-tosyloxy-3-(trifluoromethyl)hept-4-enoic acid ethyl ester Formula: C17H20F4O5S MolecularWeight: 412.396313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F4O5S/c1-4-6-14(16(18,17(19,20)21)11-15(22)25-5-2)26-27(23,24)13-9-7-12(3)8-10-13/h6-10H,4-5,11H2,1-3H3/b14-6-