3-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid

Systemtic Name: 3-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid Openeye Name: 3-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid CAS Name: 3-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid IUPAC Name: 3-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid Traditional Name: 3-[3-(trifluoromethyl)phenyl]sulfonylbutyric acid Formula: C11H11F3O4S MolecularWeight: 296.26285

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)S(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(CC(=O)O)S(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C11H11F3O4S/c1-7(5-10(15)16)19(17,18)9-4-2-3-8(6-9)11(12,13)14/h2-4,6-7H,5H2,1H3,(H,15,16)