Systematic / IUPAC Name: 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione
ID: Reference71
Other Names:
2-[(4-Methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione;
Tenacity;
Callisto
Formula: C14H13NO7S
Class: Pesticides/Herbicides
Mesotrione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | LTQ Orbitrap XL |
No. of Spectral Trees | 1 |
No. of Spectra | 37 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 1/15/2015 1:01:36 PM |
InChI | InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 |
InChI Key | KPUREKXXPHOJQT-UHFFFAOYSA-N |
Canonical SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-] |
CAS | 104206828 |
Splash | |
Other Names |
2-[(4-Methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione; Tenacity; Callisto |
ChemSpider | 153301 |
ChEMBL | CHEMBL1873440 |
ChEBI | CHEBI:38321 |
ChemIDPlus | 104206828 |
PubChem | 175967 |
Wikipedia | Mesotrione |