2-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-4-oxidanylidene-2-(trifluoromethyl)butanoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-4-oxidanylidene-2-(trifluoromethyl)butanoic acid Openeye Name: 2-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-4-oxo-2-(trifluoromethyl)butanoic acid CAS Name: 2-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-4-oxo-2-(trifluoromethyl)butanoic acid IUPAC Name: 2-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-4-oxo-2-(trifluoromethyl)butanoic acid Traditional Name: 2-(4-bromobenzyl)-4-(4-fluorophenyl)-4-keto-2-(trifluoromethyl)butyric acid Formula: C18H13BrF4O3 MolecularWeight: 433.191633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(=O)C2=CC=C(C=C2)F)(C(=O)O)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1CC(CC(=O)C2=CC=C(C=C2)F)(C(=O)O)C(F)(F)F)Br

InChI

InChI=1S/C18H13BrF4O3/c19-13-5-1-11(2-6-13)9-17(16(25)26,18(21,22)23)10-15(24)12-3-7-14(20)8-4-12/h1-8H,9-10H2,(H,25,26)