4-(Methylsulfonyl)-3-nitrobenzoic acid
CAS Registry Number®
81029-08-5
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CAS Name
4-(Methylsulfonyl)-3-nitrobenzoic acidMolecular Formula
C8H7NO6SMolecular Mass
245.21Cite 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 ) (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
