5-propylsulfonylpyridine-3-carboxylic acid

Systemtic Name: 5-propylsulfonylpyridine-3-carboxylic acid Openeye Name: 5-propylsulfonylpyridine-3-carboxylic acid CAS Name: 5-propylsulfonyl-3-pyridinecarboxylic acid IUPAC Name: 5-propylsulfonylpyridine-3-carboxylic acid Traditional Name: 5-propylsulfonylnicotinic acid Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CN=CC(=C1)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CN=CC(=C1)C(=O)O

InChI

InChI=1S/C9H11NO4S/c1-2-3-15(13,14)8-4-7(9(11)12)5-10-6-8/h4-6H,2-3H2,1H3,(H,11,12)