Methyl 5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoate

CAS Registry Number®

845617-21-2
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CAS Name

Methyl 5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoate

Molecular Formula

C12H13F3O5S

Molecular Mass

326.29

Cite this Page

Methyl 5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=845617-21-2 (retrieved 2024-07-04) (CAS RN: 845617-21-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13F3O5S/c1-7(12(13,14)15)20-10-5-4-8(21(3,17)18)6-9(10)11(16)19-2/h4-7H,1-3H3/t7-/m1/s1

InChIKey

InChIKey=BVJQZAHQFKJQSQ-SSDOTTSWSA-N

SMILES

C(OC)(=O)C1=C(O[C@@H](C(F)(F)F)C)C=CC(S(C)(=O)=O)=C1

Canonical SMILES

O=C(OC)C1=CC(=CC=C1OC(C)C(F)(F)F)S(=O)(=O)C

Other Names for this Substance

  • Benzoic acid, 5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]-, methyl ester
  • Methyl 5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoate
  • 5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-methylethyl)oxy]benzoic acid methyl ester
  • (R)-Methyl 5-(methylsulfonyl)-2-((1,1,1-trifluoropropan-2-yl)oxy)benzoate