methyl 3-[3-(trifluoromethyl)phenyl]sulfonylbutanoate

Systemtic Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfonylbutanoate Openeye Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfonylbutanoate CAS Name: 3-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid methyl ester IUPAC Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfonylbutanoate Traditional Name: 3-[3-(trifluoromethyl)phenyl]sulfonylbutyric acid methyl ester Formula: C12H13F3O4S MolecularWeight: 310.28943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3O4S/c1-8(6-11(16)19-2)20(17,18)10-5-3-4-9(7-10)12(13,14)15/h3-5,7-8H,6H2,1-2H3