4-(Methylsulfonyl)-3-nitrobenzoic acid

CAS Registry Number®

81029-08-5

CAS Name

4-(Methylsulfonyl)-3-nitrobenzoic acid

Molecular Formula

C8H7NO6S

Molecular Mass

245.21

Cite this Page

4-(Methylsulfonyl)-3-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81029-08-5 (retrieved 2024-11-29) (CAS RN: 81029-08-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H7NO6S/c1-16(14,15)7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)

InChIKey

InChIKey=MZIWQSVCXANUIX-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(S(C)(=O)=O)C=CC(C(O)=O)=C1

Canonical SMILES

O=C(O)C1=CC=C(C(=C1)N(=O)=O)S(=O)(=O)C

Other Names for this Substance

  • Benzoic acid, 4-(methylsulfonyl)-3-nitro-
  • 4-(Methylsulfonyl)-3-nitrobenzoic acid
  • 3-Nitro-4-methylsulfonylbenzoic acid

CAS INSIGHTSTM
Hourglass and a clock