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3-ethanoylsulfanylhexyl butanoate

3-ethanoylsulfanylhexyl butanoate

Systemtic Name:3-ethanoylsulfanylhexyl butanoate
Openeye Name:3-acetylsulfanylhexyl butanoate
CAS Name:butanoic acid 3-(acetylthio)hexyl ester
IUPAC Name:3-acetylsulfanylhexyl butanoate
Traditional Name:butyric acid 3-(acetylthio)hexyl ester
Formula: C12H22O3S
MolecularWeight: 246.36628
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H22O3S/c1-4-6-11(16-10(3)13)8-9-15-12(14)7-5-2/h11H,4-9H2,1-3H3


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