S-ethyl 2-(chloromethyl)-3-oxidanyl-3-[4-(trifluoromethyl)phenyl]propanethioate

Systemtic Name: S-ethyl 2-(chloromethyl)-3-oxidanyl-3-[4-(trifluoromethyl)phenyl]propanethioate Openeye Name: S-ethyl 2-(chloromethyl)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanethioate CAS Name: 2-(chloromethyl)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-(chloromethyl)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanethioate Traditional Name: 2-(chloromethyl)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanethioic acid S-ethyl ester Formula: C13H14ClF3O2S MolecularWeight: 326.76227

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(CCl)C(C1=CC=C(C=C1)C(F)(F)F)O

Isomeric SMILES

CCSC(=O)C(CCl)C(C1=CC=C(C=C1)C(F)(F)F)O

InChI

InChI=1S/C13H14ClF3O2S/c1-2-20-12(19)10(7-14)11(18)8-3-5-9(6-4-8)13(15,16)17/h3-6,10-11,18H,2,7H2,1H3