2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl (E)-3-phenylprop-2-enoate

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl (E)-3-phenylprop-2-enoate Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester Formula: C19H14F6O4S MolecularWeight: 452.367479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)OCCS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)OCCS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H14F6O4S/c20-18(21,22)14-10-15(19(23,24)25)12-16(11-14)30(27,28)9-8-29-17(26)7-6-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2/b7-6+