2-(2-pyridin-4-ylethyl)benzenesulfinate

Systemtic Name: 2-(2-pyridin-4-ylethyl)benzenesulfinate Openeye Name: 2-[2-(4-pyridyl)ethyl]benzenesulfinate CAS Name: 2-(2-pyridin-4-ylethyl)benzenesulfinate IUPAC Name: 2-(2-pyridin-4-ylethyl)benzenesulfinate Traditional Name: 2-[2-(4-pyridyl)ethyl]benzenesulfinate Formula: C13H12NO2S- MolecularWeight: 246.30488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC2=CC=NC=C2)S(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CCC2=CC=NC=C2)S(=O)[O-]

InChI

InChI=1S/C13H13NO2S/c15-17(16)13-4-2-1-3-12(13)6-5-11-7-9-14-10-8-11/h1-4,7-10H,5-6H2,(H,15,16)/p-1