Name | Mesotrione Impurity 50 |
Synonyms | 1,3-CYCLOHEXANEDIONE, 4,4-DIMETHYL-2-[4-(METHYLTHIO)-2-NITROBENZOYL]- |
CAS | 104207-07-0 |
InChI | InChI=1/C16H17NO5S/c1-16(2)7-6-12(18)13(15(16)20)14(19)10-5-4-9(23-3)8-11(10)17(21)22/h4-5,8,13H,6-7H2,1-3H3 |
InChIKey | IRGZTIAPYYHASN-UHFFFAOYNA-N |
Canonical Smiles | CSC1=CC=C(C(=O)C2C(=O)CCC(C)(C)C2=O)C(=C1)[N+]([O-])=O |
Isomers Smiles | CSC1=CC=C(C(=O)C2C(=O)CCC(C)(C)C2=O)C(=C1)[N+]([O-])=O |
Molecular Formula | C16H17NO5S |
Molar Mass | 335.37 |