methyl 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]benzoate CAS Name: 3-[[[3-(trifluoromethyl)phenyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[3-(trifluoromethyl)phenyl]thio]methyl]benzoic acid methyl ester Formula: C16H13F3O2S MolecularWeight: 326.33343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H13F3O2S/c1-21-15(20)12-5-2-4-11(8-12)10-22-14-7-3-6-13(9-14)16(17,18)19/h2-9H,10H2,1H3