3-[3-(trifluoromethyl)phenyl]sulfanylpropanoate

Systemtic Name: 3-[3-(trifluoromethyl)phenyl]sulfanylpropanoate Openeye Name: 3-[3-(trifluoromethyl)phenyl]sulfanylpropanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]thio]propanoate IUPAC Name: 3-[3-(trifluoromethyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]thio]propionate Formula: C10H8F3O2S- MolecularWeight: 249.22953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C10H9F3O2S/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15/h1-3,6H,4-5H2,(H,14,15)/p-1