(E,4S)-6-(4-bromophenyl)-4-oxidanyl-4-(trifluoromethyl)hex-5-en-2-one

Systemtic Name: (E,4S)-6-(4-bromophenyl)-4-oxidanyl-4-(trifluoromethyl)hex-5-en-2-one Openeye Name: (E,4S)-6-(4-bromophenyl)-4-hydroxy-4-(trifluoromethyl)hex-5-en-2-one CAS Name: (E,4S)-6-(4-bromophenyl)-4-hydroxy-4-(trifluoromethyl)-5-hexen-2-one IUPAC Name: (E,4S)-6-(4-bromophenyl)-4-hydroxy-4-(trifluoromethyl)hex-5-en-2-one Traditional Name: (E,4S)-6-(4-bromophenyl)-4-hydroxy-4-(trifluoromethyl)hex-5-en-2-one Formula: C13H12BrF3O2 MolecularWeight: 337.13239

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C=CC1=CC=C(C=C1)Br)(C(F)(F)F)O

Isomeric SMILES

CC(=O)C[C@](/C=C/C1=CC=C(C=C1)Br)(C(F)(F)F)O

InChI

InChI=1S/C13H12BrF3O2/c1-9(18)8-12(19,13(15,16)17)7-6-10-2-4-11(14)5-3-10/h2-7,19H,8H2,1H3/b7-6+/t12-/m1/s1