4,4,4-tris(fluoranyl)-2-[(phenylmethylsulfanyl)methyl]butanoic acid

Systemtic Name: 4,4,4-tris(fluoranyl)-2-[(phenylmethylsulfanyl)methyl]butanoic acid Openeye Name: 2-(benzylsulfanylmethyl)-4,4,4-trifluoro-butanoic acid CAS Name: 4,4,4-trifluoro-2-[(phenylmethylthio)methyl]butanoic acid IUPAC Name: 2-(benzylsulfanylmethyl)-4,4,4-trifluorobutanoic acid Traditional Name: 2-[(benzylthio)methyl]-4,4,4-trifluoro-butyric acid Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3O2S/c13-12(14,15)6-10(11(16)17)8-18-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)