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

Systemtic Name: 4-ethyl-1-(4-methylsulfanylphenyl)-4-oxidanyl-hex-2-yn-1-one Openeye Name: 4-ethyl-4-hydroxy-1-(4-methylsulfanylphenyl)hex-2-yn-1-one CAS Name: 4-ethyl-4-hydroxy-1-[4-(methylthio)phenyl]-2-hexyn-1-one IUPAC Name: 4-ethyl-4-hydroxy-1-(4-methylsulfanylphenyl)hex-2-yn-1-one Traditional Name: 4-ethyl-4-hydroxy-1-[4-(methylthio)phenyl]hex-2-yn-1-one Formula: C15H18O2S MolecularWeight: 262.36722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O2S/c1-4-15(17,5-2)11-10-14(16)12-6-8-13(18-3)9-7-12/h6-9,17H,4-5H2,1-3H3