3-bromanyl-4-(2-hydroxyethyloxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid

Systemtic Name: 3-bromanyl-4-(2-hydroxyethyloxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid Openeye Name: 3-bromo-4-(2-hydroxyethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid CAS Name: 3-bromo-4-(2-hydroxyethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid IUPAC Name: 3-bromo-4-(2-hydroxyethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid Traditional Name: 3-bromo-4-(2-hydroxyethoxy)-5-[3-(trifluoromethyl)phenyl]benzoic acid Formula: C16H12BrF3O4 MolecularWeight: 405.16329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC(=C2OCCO)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC(=C2OCCO)Br)C(=O)O

InChI

InChI=1S/C16H12BrF3O4/c17-13-8-10(15(22)23)7-12(14(13)24-5-4-21)9-2-1-3-11(6-9)16(18,19)20/h1-3,6-8,21H,4-5H2,(H,22,23)