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

Systemtic Name: (E)-2-(3-oxidanylpyridin-2-yl)sulfanyloct-2-enoic acid Openeye Name: (E)-2-[(3-hydroxy-2-pyridyl)sulfanyl]oct-2-enoic acid CAS Name: (E)-2-[(3-hydroxy-2-pyridinyl)thio]-2-octenoic acid IUPAC Name: (E)-2-(3-hydroxypyridin-2-yl)sulfanyloct-2-enoic acid Traditional Name: (E)-2-[(3-hydroxy-2-pyridyl)thio]oct-2-enoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-2-3-4-5-8-11(13(16)17)18-12-10(15)7-6-9-14-12/h6-9,15H,2-5H2,1H3,(H,16,17)/b11-8+