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

Systemtic Name: methyl 4-[3-(trifluoromethyl)phenyl]sulfanylbutanoate Openeye Name: methyl 4-[3-(trifluoromethyl)phenyl]sulfanylbutanoate CAS Name: 4-[[3-(trifluoromethyl)phenyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[3-(trifluoromethyl)phenyl]sulfanylbutanoate Traditional Name: 4-[[3-(trifluoromethyl)phenyl]thio]butyric acid methyl ester Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

COC(=O)CCCSC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C12H13F3O2S/c1-17-11(16)6-3-7-18-10-5-2-4-9(8-10)12(13,14)15/h2,4-5,8H,3,6-7H2,1H3