hexyl 4-methylsulfanyl-2-oxidanyl-butanoate

Systemtic Name: hexyl 4-methylsulfanyl-2-oxidanyl-butanoate Openeye Name: hexyl 2-hydroxy-4-methylsulfanyl-butanoate CAS Name: 2-hydroxy-4-(methylthio)butanoic acid hexyl ester IUPAC Name: hexyl 2-hydroxy-4-methylsulfanylbutanoate Traditional Name: 2-hydroxy-4-(methylthio)butyric acid hexyl ester Formula: C11H22O3S MolecularWeight: 234.35558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CCSC)O

Isomeric SMILES

CCCCCCOC(=O)C(CCSC)O

InChI

InChI=1S/C11H22O3S/c1-3-4-5-6-8-14-11(13)10(12)7-9-15-2/h10,12H,3-9H2,1-2H3