3-ethanoylsulfanylhexyl 2-methylpropanoate

Systemtic Name: 3-ethanoylsulfanylhexyl 2-methylpropanoate Openeye Name: 3-acetylsulfanylhexyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 3-(acetylthio)hexyl ester IUPAC Name: 3-acetylsulfanylhexyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 3-(acetylthio)hexyl ester Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O3S/c1-5-6-11(16-10(4)13)7-8-15-12(14)9(2)3/h9,11H,5-8H2,1-4H3