ethanedioic acid; N-methyl-2-octylsulfanyl-ethanamine

Systemtic Name: ethanedioic acid; N-methyl-2-octylsulfanyl-ethanamine Openeye Name: N-methyl-2-octylsulfanyl-ethanamine; oxalic acid CAS Name: N-methyl-2-(octylthio)ethanamine; oxalic acid IUPAC Name: N-methyl-2-octylsulfanylethanamine; oxalic acid Traditional Name: methyl-[2-(octylthio)ethyl]amine; oxalic acid Formula: C13H27NO4S MolecularWeight: 293.42278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCNC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCSCCNC.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H25NS.C2H2O4/c1-3-4-5-6-7-8-10-13-11-9-12-2;3-1(4)2(5)6/h12H,3-11H2,1-2H3;(H,3,4)(H,5,6)