3-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-butanoic acid

Systemtic Name: 3-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-butanoic acid Openeye Name: 3-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-butanoic acid CAS Name: 3-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid IUPAC Name: 3-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid Traditional Name: 3-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-butyric acid Formula: C12H13F3O4S MolecularWeight: 310.28943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3O4S/c1-7(2)10(11(16)17)20(18,19)9-5-3-4-8(6-9)12(13,14)15/h3-7,10H,1-2H3,(H,16,17)