methyl 4-(trifluoromethylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(trifluoromethylsulfanylmethyl)benzoate Openeye Name: methyl 4-(trifluoromethylsulfanylmethyl)benzoate CAS Name: 4-[(trifluoromethylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(trifluoromethylsulfanylmethyl)benzoate Traditional Name: 4-[(trifluoromethylthio)methyl]benzoic acid methyl ester Formula: C10H9F3O2S MolecularWeight: 250.23747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9F3O2S/c1-15-9(14)8-4-2-7(3-5-8)6-16-10(11,12)13/h2-5H,6H2,1H3