(E)-2-(3-oxidanylpyridin-2-yl)sulfanylhex-2-enoic acid

Systemtic Name: (E)-2-(3-oxidanylpyridin-2-yl)sulfanylhex-2-enoic acid Openeye Name: (E)-2-[(3-hydroxy-2-pyridyl)sulfanyl]hex-2-enoic acid CAS Name: (E)-2-[(3-hydroxy-2-pyridinyl)thio]-2-hexenoic acid IUPAC Name: (E)-2-(3-hydroxypyridin-2-yl)sulfanylhex-2-enoic acid Traditional Name: (E)-2-[(3-hydroxy-2-pyridyl)thio]hex-2-enoic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(C(=O)O)SC1=C(C=CC=N1)O

Isomeric SMILES

CCC/C=C(\C(=O)O)/SC1=C(C=CC=N1)O

InChI

InChI=1S/C11H13NO3S/c1-2-3-6-9(11(14)15)16-10-8(13)5-4-7-12-10/h4-7,13H,2-3H2,1H3,(H,14,15)/b9-6+