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3-methylsulfanylhexyl hexanoate

3-methylsulfanylhexyl hexanoate

Systemtic Name:3-methylsulfanylhexyl hexanoate
Openeye Name:3-methylsulfanylhexyl hexanoate
CAS Name:hexanoic acid 3-(methylthio)hexyl ester
IUPAC Name:3-methylsulfanylhexyl hexanoate
Traditional Name:hexanoic acid 3-(methylthio)hexyl ester
Formula: C13H26O2S
MolecularWeight: 246.40934
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCCC(CCC)SC


Isomeric SMILES

CCCCCC(=O)OCCC(CCC)SC


InChI

InChI=1S/C13H26O2S/c1-4-6-7-9-13(14)15-11-10-12(16-3)8-5-2/h12H,4-11H2,1-3H3


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