3-methyl-2-methylidene-1-(2-methylsulfanylphenyl)-3-oxidanyl-pentane-1,4-dione

Systemtic Name: 3-methyl-2-methylidene-1-(2-methylsulfanylphenyl)-3-oxidanyl-pentane-1,4-dione Openeye Name: 3-hydroxy-3-methyl-2-methylene-1-(2-methylsulfanylphenyl)pentane-1,4-dione CAS Name: 3-hydroxy-3-methyl-2-methylene-1-[2-(methylthio)phenyl]pentane-1,4-dione IUPAC Name: 3-hydroxy-3-methyl-2-methylidene-1-(2-methylsulfanylphenyl)pentane-1,4-dione Traditional Name: 3-hydroxy-3-methyl-2-methylene-1-[2-(methylthio)phenyl]pentane-1,4-dione Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3S/c1-9(14(3,17)10(2)15)13(16)11-7-5-6-8-12(11)18-4/h5-8,17H,1H2,2-4H3