2-azanyl-4-methylsulfanyl-dodecanoate

Systemtic Name: 2-azanyl-4-methylsulfanyl-dodecanoate Openeye Name: 2-amino-4-methylsulfanyl-dodecanoate CAS Name: 2-amino-4-(methylthio)dodecanoate IUPAC Name: 2-amino-4-methylsulfanyldodecanoate Traditional Name: 2-amino-4-(methylthio)laurate Formula: C13H26NO2S- MolecularWeight: 260.41604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(C(=O)[O-])N)SC

Isomeric SMILES

CCCCCCCCC(CC(C(=O)[O-])N)SC

InChI

InChI=1S/C13H27NO2S/c1-3-4-5-6-7-8-9-11(17-2)10-12(14)13(15)16/h11-12H,3-10,14H2,1-2H3,(H,15,16)/p-1