(2S)-3-methyl-2-[3-(trifluoromethyl)phenoxy]butanoate

Systemtic Name: (2S)-3-methyl-2-[3-(trifluoromethyl)phenoxy]butanoate Openeye Name: (2S)-3-methyl-2-[3-(trifluoromethyl)phenoxy]butanoate CAS Name: (2S)-3-methyl-2-[3-(trifluoromethyl)phenoxy]butanoate IUPAC Name: (2S)-3-methyl-2-[3-(trifluoromethyl)phenoxy]butanoate Traditional Name: (2S)-3-methyl-2-[3-(trifluoromethyl)phenoxy]butyrate Formula: C12H12F3O3- MolecularWeight: 261.21709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])OC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])OC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C12H13F3O3/c1-7(2)10(11(16)17)18-9-5-3-4-8(6-9)12(13,14)15/h3-7,10H,1-2H3,(H,16,17)/p-1/t10-/m0/s1