2-pyridin-2-ylsulfinyloctanoic acid

Systemtic Name: 2-pyridin-2-ylsulfinyloctanoic acid Openeye Name: 2-(2-pyridylsulfinyl)octanoic acid CAS Name: 2-(2-pyridinylsulfinyl)octanoic acid IUPAC Name: 2-pyridin-2-ylsulfinyloctanoic acid Traditional Name: 2-(2-pyridylsulfinyl)caprylic acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)C1=CC=CC=N1

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)C1=CC=CC=N1

InChI

InChI=1S/C13H19NO3S/c1-2-3-4-5-8-11(13(15)16)18(17)12-9-6-7-10-14-12/h6-7,9-11H,2-5,8H2,1H3,(H,15,16)