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

Systemtic Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfanylbutanoate Openeye Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfanylbutanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]thio]butanoic acid methyl ester IUPAC Name: methyl 3-[3-(trifluoromethyl)phenyl]sulfanylbutanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]thio]butyric acid methyl ester Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)SC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(CC(=O)OC)SC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C12H13F3O2S/c1-8(6-11(16)17-2)18-10-5-3-4-9(7-10)12(13,14)15/h3-5,7-8H,6H2,1-2H3