butyl 2-methylsulfanyl-4-(trifluoromethyl)benzoate

Systemtic Name: butyl 2-methylsulfanyl-4-(trifluoromethyl)benzoate Openeye Name: butyl 2-methylsulfanyl-4-(trifluoromethyl)benzoate CAS Name: 2-(methylthio)-4-(trifluoromethyl)benzoic acid butyl ester IUPAC Name: butyl 2-methylsulfanyl-4-(trifluoromethyl)benzoate Traditional Name: 2-(methylthio)-4-(trifluoromethyl)benzoic acid butyl ester Formula: C13H15F3O2S MolecularWeight: 292.31721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=C(C=C1)C(F)(F)F)SC

Isomeric SMILES

CCCCOC(=O)C1=C(C=C(C=C1)C(F)(F)F)SC

InChI

InChI=1S/C13H15F3O2S/c1-3-4-7-18-12(17)10-6-5-9(13(14,15)16)8-11(10)19-2/h5-6,8H,3-4,7H2,1-2H3