3-methylsulfanylhexyl ethanoate

Systemtic Name: 3-methylsulfanylhexyl ethanoate Openeye Name: 3-methylsulfanylhexyl acetate CAS Name: acetic acid 3-(methylthio)hexyl ester IUPAC Name: 3-methylsulfanylhexyl acetate Traditional Name: acetic acid 3-(methylthio)hexyl ester Formula: C9H18O2S MolecularWeight: 190.30302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOC(=O)C)SC

Isomeric SMILES

CCCC(CCOC(=O)C)SC

InChI

InChI=1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3