2-(3-oxidanylpropylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(3-oxidanylpropylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(3-hydroxypropylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(3-hydroxypropylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(3-hydroxypropylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(3-hydroxypropylthio)nicotinic acid Formula: C9H11NO3S MolecularWeight: 213.25354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCCO)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCCO)C(=O)O

InChI

InChI=1S/C9H11NO3S/c11-5-2-6-14-8-7(9(12)13)3-1-4-10-8/h1,3-4,11H,2,5-6H2,(H,12,13)