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

Systemtic Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfonylpropanoate Openeye Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfonylpropanoate CAS Name: 3-[3-(trifluoromethyl)phenyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfonylpropanoate Traditional Name: 3-[3-(trifluoromethyl)phenyl]sulfonylpropionic acid methyl ester Formula: C11H11F3O4S MolecularWeight: 296.26285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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