propyl 4-(trifluoromethylsulfanylmethyl)benzoate

Systemtic Name: propyl 4-(trifluoromethylsulfanylmethyl)benzoate Openeye Name: propyl 4-(trifluoromethylsulfanylmethyl)benzoate CAS Name: 4-[(trifluoromethylthio)methyl]benzoic acid propyl ester IUPAC Name: propyl 4-(trifluoromethylsulfanylmethyl)benzoate Traditional Name: 4-[(trifluoromethylthio)methyl]benzoic acid propyl ester Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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