3-(2-methylpropanoylsulfanyl)hexyl 2-methylpropanoate

Systemtic Name: 3-(2-methylpropanoylsulfanyl)hexyl 2-methylpropanoate Openeye Name: 3-(2-methylpropanoylsulfanyl)hexyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 3-[(2-methyl-1-oxopropyl)thio]hexyl ester IUPAC Name: 3-(2-methylpropanoylsulfanyl)hexyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 3-(isobutyrylthio)hexyl ester Formula: C14H26O3S MolecularWeight: 274.41944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOC(=O)C(C)C)SC(=O)C(C)C

Isomeric SMILES

CCCC(CCOC(=O)C(C)C)SC(=O)C(C)C

InChI

InChI=1S/C14H26O3S/c1-6-7-12(18-14(16)11(4)5)8-9-17-13(15)10(2)3/h10-12H,6-9H2,1-5H3