3,3,3-tris(fluoranyl)-2-(phenylcarbonylsulfanylmethyl)propanoic acid

Systemtic Name: 3,3,3-tris(fluoranyl)-2-(phenylcarbonylsulfanylmethyl)propanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-3,3,3-trifluoro-propanoic acid CAS Name: 2-[(benzoylthio)methyl]-3,3,3-trifluoropropanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-3,3,3-trifluoropropanoic acid Traditional Name: 2-[(benzoylthio)methyl]-3,3,3-trifluoro-propionic acid Formula: C11H9F3O3S MolecularWeight: 278.24757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F3O3S/c12-11(13,14)8(9(15)16)6-18-10(17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,16)