2-(ethanoylsulfanylmethyl)-3-[3-(trifluoromethyl)phenoxy]propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-[3-(trifluoromethyl)phenoxy]propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-[3-(trifluoromethyl)phenoxy]propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-[3-(trifluoromethyl)phenoxy]propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-[3-(trifluoromethyl)phenoxy]propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-[3-(trifluoromethyl)phenoxy]propionic acid Formula: C13H13F3O4S MolecularWeight: 322.30013

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(COC1=CC=CC(=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(=O)SCC(COC1=CC=CC(=C1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H13F3O4S/c1-8(17)21-7-9(12(18)19)6-20-11-4-2-3-10(5-11)13(14,15)16/h2-5,9H,6-7H2,1H3,(H,18,19)