3-methylsulfanylhexyl butanoate

Systemtic Name: 3-methylsulfanylhexyl butanoate Openeye Name: 3-methylsulfanylhexyl butanoate CAS Name: butanoic acid 3-(methylthio)hexyl ester IUPAC Name: 3-methylsulfanylhexyl butanoate Traditional Name: butyric acid 3-(methylthio)hexyl ester Formula: C11H22O2S MolecularWeight: 218.35618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOC(=O)CCC)SC

Isomeric SMILES

CCCC(CCOC(=O)CCC)SC

InChI

InChI=1S/C11H22O2S/c1-4-6-10(14-3)8-9-13-11(12)7-5-2/h10H,4-9H2,1-3H3