methyl 4-[3-(trifluoromethyl)phenyl]sulfonylbutanoate

Systemtic Name: methyl 4-[3-(trifluoromethyl)phenyl]sulfonylbutanoate Openeye Name: methyl 4-[3-(trifluoromethyl)phenyl]sulfonylbutanoate CAS Name: 4-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid methyl ester IUPAC Name: methyl 4-[3-(trifluoromethyl)phenyl]sulfonylbutanoate Traditional Name: 4-[3-(trifluoromethyl)phenyl]sulfonylbutyric acid methyl ester Formula: C12H13F3O4S MolecularWeight: 310.28943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

COC(=O)CCCS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C12H13F3O4S/c1-19-11(16)6-3-7-20(17,18)10-5-2-4-9(8-10)12(13,14)15/h2,4-5,8H,3,6-7H2,1H3