4-methyl-1-(4-methylsulfanylphenyl)-4-oxidanyl-hex-2-yn-1-one

Systemtic Name: 4-methyl-1-(4-methylsulfanylphenyl)-4-oxidanyl-hex-2-yn-1-one Openeye Name: 4-hydroxy-4-methyl-1-(4-methylsulfanylphenyl)hex-2-yn-1-one CAS Name: 4-hydroxy-4-methyl-1-[4-(methylthio)phenyl]-2-hexyn-1-one IUPAC Name: 4-hydroxy-4-methyl-1-(4-methylsulfanylphenyl)hex-2-yn-1-one Traditional Name: 4-hydroxy-4-methyl-1-[4-(methylthio)phenyl]hex-2-yn-1-one Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CC(=O)C1=CC=C(C=C1)SC)O

Isomeric SMILES

CCC(C)(C#CC(=O)C1=CC=C(C=C1)SC)O

InChI

InChI=1S/C14H16O2S/c1-4-14(2,16)10-9-13(15)11-5-7-12(17-3)8-6-11/h5-8,16H,4H2,1-3H3