3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)methylsulfanylmethyl]propanoic acid

Systemtic Name: 3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)methylsulfanylmethyl]propanoic acid Openeye Name: 3,3,3-trifluoro-2-[(4-methoxyphenyl)methylsulfanylmethyl]propanoic acid CAS Name: 3,3,3-trifluoro-2-[[(4-methoxyphenyl)methylthio]methyl]propanoic acid IUPAC Name: 3,3,3-trifluoro-2-[(4-methoxyphenyl)methylsulfanylmethyl]propanoic acid Traditional Name: 3,3,3-trifluoro-2-[(p-anisylthio)methyl]propionic acid Formula: C12H13F3O3S MolecularWeight: 294.29003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3O3S/c1-18-9-4-2-8(3-5-9)6-19-7-10(11(16)17)12(13,14)15/h2-5,10H,6-7H2,1H3,(H,16,17)