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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(F)(F)F)(C(=O)O)SCC1=CC=CC=C1

Isomeric SMILES

CC(CC(F)(F)F)(C(=O)O)SCC1=CC=CC=C1

InChI

InChI=1S/C12H13F3O2S/c1-11(10(16)17,8-12(13,14)15)18-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,16,17)