2-[[2-bromanyl-4-(trifluoromethyl)phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[2-bromanyl-4-(trifluoromethyl)phenyl]methyl]propanedioic acid Openeye Name: 2-[[2-bromo-4-(trifluoromethyl)phenyl]methyl]propanedioic acid CAS Name: 2-[[2-bromo-4-(trifluoromethyl)phenyl]methyl]propanedioic acid IUPAC Name: 2-[[2-bromo-4-(trifluoromethyl)phenyl]methyl]propanedioic acid Traditional Name: 2-[2-bromo-4-(trifluoromethyl)benzyl]malonic acid Formula: C11H8BrF3O4 MolecularWeight: 341.07803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Br)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Br)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C11H8BrF3O4/c12-8-4-6(11(13,14)15)2-1-5(8)3-7(9(16)17)10(18)19/h1-2,4,7H,3H2,(H,16,17)(H,18,19)