(3-methyl-5-oxidanyl-phenyl)methylsulfanyl butanoate

Systemtic Name: (3-methyl-5-oxidanyl-phenyl)methylsulfanyl butanoate Openeye Name: (3-hydroxy-5-methyl-phenyl)methylsulfanyl butanoate CAS Name: butanoic acid [(3-hydroxy-5-methylphenyl)methylthio] ester IUPAC Name: (3-hydroxy-5-methylphenyl)methylsulfanyl butanoate Traditional Name: butyric acid [(3-hydroxy-5-methyl-benzyl)thio] ester Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OSCC1=CC(=CC(=C1)C)O

Isomeric SMILES

CCCC(=O)OSCC1=CC(=CC(=C1)C)O

InChI

InChI=1S/C12H16O3S/c1-3-4-12(14)15-16-8-10-5-9(2)6-11(13)7-10/h5-7,13H,3-4,8H2,1-2H3