2-butylsulfanyl-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-butylsulfanyl-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-butylsulfanyl-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(butylthio)-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-butylsulfanyl-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(butylthio)-6-methyl-4-methylol-nicotinic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=CC(=N1)C)CO)C(=O)O

Isomeric SMILES

CCCCSC1=C(C(=CC(=N1)C)CO)C(=O)O

InChI

InChI=1S/C12H17NO3S/c1-3-4-5-17-11-10(12(15)16)9(7-14)6-8(2)13-11/h6,14H,3-5,7H2,1-2H3,(H,15,16)