3,3,3-tris(fluoranyl)-2-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanylmethyl]propanoic acid

Systemtic Name: 3,3,3-tris(fluoranyl)-2-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanylmethyl]propanoic acid Openeye Name: 3,3,3-trifluoro-2-[(2-isopropoxy-2-oxo-ethyl)sulfanylmethyl]propanoic acid CAS Name: 3,3,3-trifluoro-2-[[(2-oxo-2-propan-2-yloxyethyl)thio]methyl]propanoic acid IUPAC Name: 3,3,3-trifluoro-2-[(2-oxo-2-propan-2-yloxyethyl)sulfanylmethyl]propanoic acid Traditional Name: 3,3,3-trifluoro-2-[[(2-isopropoxy-2-keto-ethyl)thio]methyl]propionic acid Formula: C9H13F3O4S MolecularWeight: 274.25733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSCC(C(=O)O)C(F)(F)F

Isomeric SMILES

CC(C)OC(=O)CSCC(C(=O)O)C(F)(F)F

InChI

InChI=1S/C9H13F3O4S/c1-5(2)16-7(13)4-17-3-6(8(14)15)9(10,11)12/h5-6H,3-4H2,1-2H3,(H,14,15)