2-(1-Methylethoxy)-5-(methylsulfonyl)benzoic acid

CAS Registry Number®

845616-02-6
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CAS Name

2-(1-Methylethoxy)-5-(methylsulfonyl)benzoic acid

Molecular Formula

C11H14O5S

Molecular Mass

258.29

Cite this Page

2-(1-Methylethoxy)-5-(methylsulfonyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=845616-02-6 (retrieved 2024-08-12) (CAS RN: 845616-02-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H14O5S/c1-7(2)16-10-5-4-8(17(3,14)15)6-9(10)11(12)13/h4-7H,1-3H3,(H,12,13)

InChIKey

InChIKey=NWXBHCBBFZOTOQ-UHFFFAOYSA-N

SMILES

O(C(C)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)S(=O)(=O)C

Other Names for this Substance

  • Benzoic acid, 2-(1-methylethoxy)-5-(methylsulfonyl)-
  • 2-(1-Methylethoxy)-5-(methylsulfonyl)benzoic acid
  • 2-Isopropoxy-5-methylsulfonylbenzoic acid
  • 2-Isopropoxy-5-(methanesulfonyl)benzoic acid

Deleted or Replaced CAS Registry Numbers

1421938-47-7