91-89-4 Purity
96%
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Specification
The molecular formula is C9H11NO4S.
The synonyms are 918967-32-5, Ethyl 5-(Methylsulfonyl)pyridine-2-carboxylate, Ethyl 5-(methylsulfonyl)picolinate, and ethyl 5-methylsulfonylpyridine-2-carboxylate.
The molecular weight is 229.26 g/mol.
The IUPAC name is ethyl 5-methylsulfonylpyridine-2-carboxylate.
The InChI is InChI=1S/C9H11NO4S/c1-3-14-9(11)8-5-4-7(6-10-8)15(2,12)13/h4-6H,3H2,1-2H3.
The InChIKey is UFEHGPVVTRPMKY-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)C1=NC=C(C=C1)S(=O)(=O)C.
The CAS number is 918967-32-5.
Yes, it is a canonicalized compound.