2-hexylsulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-hexylsulfanylpyridine-3-carboxylic acid Openeye Name: 2-hexylsulfanylpyridine-3-carboxylic acid CAS Name: 2-(hexylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-hexylsulfanylpyridine-3-carboxylic acid Traditional Name: 2-(hexylthio)nicotinic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CCCCCCSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C12H17NO2S/c1-2-3-4-5-9-16-11-10(12(14)15)7-6-8-13-11/h6-8H,2-5,9H2,1H3,(H,14,15)