ethanedioic acid; 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine

Systemtic Name: ethanedioic acid; 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine Openeye Name: 4-(2-isobutylsulfanylethyl)pyridine; oxalic acid CAS Name: 4-[2-(2-methylpropylthio)ethyl]pyridine; oxalic acid IUPAC Name: 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine; oxalic acid Traditional Name: 4-[2-(isobutylthio)ethyl]pyridine; oxalic acid Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCCC1=CC=NC=C1.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CSCCC1=CC=NC=C1.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H17NS.C2H2O4/c1-10(2)9-13-8-5-11-3-6-12-7-4-11;3-1(4)2(5)6/h3-4,6-7,10H,5,8-9H2,1-2H3;(H,3,4)(H,5,6)