5-(Methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoic acid

CAS Registry Number®

845616-83-3
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CAS Name

5-(Methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoic acid

Molecular Formula

C11H11F3O5S

Molecular Mass

312.26

Cite this Page

5-(Methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=845616-83-3 (retrieved 2024-09-06) (CAS RN: 845616-83-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H11F3O5S/c1-6(11(12,13)14)19-9-4-3-7(20(2,17)18)5-8(9)10(15)16/h3-6H,1-2H3,(H,15,16)/t6-/m1/s1

InChIKey

InChIKey=KAFINIUNMPCGFL-ZCFIWIBFSA-N

SMILES

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

Canonical SMILES

O=C(O)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]-
  • 5-(Methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoic acid
  • 5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-methylethyl)oxy]benzoic acid