4-(2-butylsulfanylethyl)pyridine; ethanedioate

Systemtic Name: 4-(2-butylsulfanylethyl)pyridine; ethanedioate Openeye Name: 4-(2-butylsulfanylethyl)pyridine; oxalate CAS Name: 4-[2-(butylthio)ethyl]pyridine; oxalate IUPAC Name: 4-(2-butylsulfanylethyl)pyridine; oxalate Traditional Name: 4-[2-(butylthio)ethyl]pyridine; oxalate Formula: C13H17NO4S-2 MolecularWeight: 283.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1=CC=NC=C1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCSCCC1=CC=NC=C1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C11H17NS.C2H2O4/c1-2-3-9-13-10-6-11-4-7-12-8-5-11;3-1(4)2(5)6/h4-5,7-8H,2-3,6,9-10H2,1H3;(H,3,4)(H,5,6)/p-2