potassium 2-butylsulfanyl-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylate

Systemtic Name: potassium 2-butylsulfanyl-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylate Openeye Name: potassium 2-butylsulfanyl-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylate CAS Name: potassium 2-(butylthio)-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylate IUPAC Name: potassium 2-butylsulfanyl-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate Traditional Name: potassium 2-(butylthio)-6-methyl-4-methylol-nicotinate Formula: C12H16KNO3S MolecularWeight: 293.42364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=CC(=N1)C)CO)C(=O)[O-].[K+]

Isomeric SMILES

CCCCSC1=C(C(=CC(=N1)C)CO)C(=O)[O-].[K+]

InChI

InChI=1S/C12H17NO3S.K/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);/q;+1/p-1