2-ethoxy-5-methylsulfonyl-pyridine-3-carboxylic acid

Systemtic Name: 2-ethoxy-5-methylsulfonyl-pyridine-3-carboxylic acid Openeye Name: 2-ethoxy-5-methylsulfonyl-pyridine-3-carboxylic acid CAS Name: 2-ethoxy-5-methylsulfonyl-3-pyridinecarboxylic acid IUPAC Name: 2-ethoxy-5-methylsulfonylpyridine-3-carboxylic acid Traditional Name: 2-ethoxy-5-mesyl-nicotinic acid Formula: C9H11NO5S MolecularWeight: 245.25234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=C1C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCOC1=NC=C(C=C1C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C9H11NO5S/c1-3-15-8-7(9(11)12)4-6(5-10-8)16(2,13)14/h4-5H,3H2,1-2H3,(H,11,12)