2-pyridin-2-ylsulfanyloctanoic acid

Systemtic Name: 2-pyridin-2-ylsulfanyloctanoic acid Openeye Name: 2-(2-pyridylsulfanyl)octanoic acid CAS Name: 2-(2-pyridinylthio)octanoic acid IUPAC Name: 2-pyridin-2-ylsulfanyloctanoic acid Traditional Name: 2-(2-pyridylthio)caprylic acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2S/c1-2-3-4-5-8-11(13(15)16)17-12-9-6-7-10-14-12/h6-7,9-11H,2-5,8H2,1H3,(H,15,16)