2-[4-[2-bromanyl-4-(trifluoromethyl)phenyl]sulfanylphenoxy]propanoic acid

Systemtic Name: 2-[4-[2-bromanyl-4-(trifluoromethyl)phenyl]sulfanylphenoxy]propanoic acid Openeye Name: 2-[4-[2-bromo-4-(trifluoromethyl)phenyl]sulfanylphenoxy]propanoic acid CAS Name: 2-[4-[[2-bromo-4-(trifluoromethyl)phenyl]thio]phenoxy]propanoic acid IUPAC Name: 2-[4-[2-bromo-4-(trifluoromethyl)phenyl]sulfanylphenoxy]propanoic acid Traditional Name: 2-[4-[[2-bromo-4-(trifluoromethyl)phenyl]thio]phenoxy]propionic acid Formula: C16H12BrF3O3S MolecularWeight: 421.22889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(F)(F)F)Br

Isomeric SMILES

CC(C(=O)O)OC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(F)(F)F)Br

InChI

InChI=1S/C16H12BrF3O3S/c1-9(15(21)22)23-11-3-5-12(6-4-11)24-14-7-2-10(8-13(14)17)16(18,19)20/h2-9H,1H3,(H,21,22)