(2S)-4-(4-bromophenyl)-2-(trifluoromethyl)butanoate

Systemtic Name: (2S)-4-(4-bromophenyl)-2-(trifluoromethyl)butanoate Openeye Name: (2S)-4-(4-bromophenyl)-2-(trifluoromethyl)butanoate CAS Name: (2S)-4-(4-bromophenyl)-2-(trifluoromethyl)butanoate IUPAC Name: (2S)-4-(4-bromophenyl)-2-(trifluoromethyl)butanoate Traditional Name: (2S)-4-(4-bromophenyl)-2-(trifluoromethyl)butyrate Formula: C11H9BrF3O2- MolecularWeight: 310.08717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(=O)[O-])C(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1CC[C@@H](C(=O)[O-])C(F)(F)F)Br

InChI

InChI=1S/C11H10BrF3O2/c12-8-4-1-7(2-5-8)3-6-9(10(16)17)11(13,14)15/h1-2,4-5,9H,3,6H2,(H,16,17)/p-1/t9-/m0/s1