2-(2-bromanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-(2-bromanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-5-(trifluoromethyl)benzoic acid Openeye Name: 2-(1-bromo-1-carboxy-propyl)-5-(trifluoromethyl)benzoic acid CAS Name: 2-(2-bromo-1-hydroxy-1-oxobutan-2-yl)-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-(2-bromo-1-hydroxy-1-oxobutan-2-yl)-5-(trifluoromethyl)benzoic acid Traditional Name: 2-(1-bromo-1-carboxy-propyl)-5-(trifluoromethyl)benzoic acid Formula: C12H10BrF3O4 MolecularWeight: 355.10461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C=C1)C(F)(F)F)C(=O)O)(C(=O)O)Br

Isomeric SMILES

CCC(C1=C(C=C(C=C1)C(F)(F)F)C(=O)O)(C(=O)O)Br

InChI

InChI=1S/C12H10BrF3O4/c1-2-11(13,10(19)20)8-4-3-6(12(14,15)16)5-7(8)9(17)18/h3-5H,2H2,1H3,(H,17,18)(H,19,20)