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

Systemtic Name: 4-methyl-1-(2-methylsulfanylphenyl)-4-oxidanyl-pent-2-yn-1-one Openeye Name: 4-hydroxy-4-methyl-1-(2-methylsulfanylphenyl)pent-2-yn-1-one CAS Name: 4-hydroxy-4-methyl-1-[2-(methylthio)phenyl]-2-pentyn-1-one IUPAC Name: 4-hydroxy-4-methyl-1-(2-methylsulfanylphenyl)pent-2-yn-1-one Traditional Name: 4-hydroxy-4-methyl-1-[2-(methylthio)phenyl]pent-2-yn-1-one Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(=O)C1=CC=CC=C1SC)O

Isomeric SMILES

CC(C)(C#CC(=O)C1=CC=CC=C1SC)O

InChI

InChI=1S/C13H14O2S/c1-13(2,15)9-8-11(14)10-6-4-5-7-12(10)16-3/h4-7,15H,1-3H3