(E)-3-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one

Systemtic Name: (E)-3-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one Openeye Name: (E)-3-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one CAS Name: (E)-3-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-3-buten-2-one IUPAC Name: (E)-3-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one Traditional Name: (E)-3-mesyl-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one Formula: C12H11F3O3S MolecularWeight: 292.27415

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1C(F)(F)F)/S(=O)(=O)C

InChI

InChI=1S/C12H11F3O3S/c1-8(16)11(19(2,17)18)7-9-5-3-4-6-10(9)12(13,14)15/h3-7H,1-2H3/b11-7+