1-(2-methylsulfanylphenyl)pentane-1,3-dione

Systemtic Name: 1-(2-methylsulfanylphenyl)pentane-1,3-dione Openeye Name: 1-(2-methylsulfanylphenyl)pentane-1,3-dione CAS Name: 1-[2-(methylthio)phenyl]pentane-1,3-dione IUPAC Name: 1-(2-methylsulfanylphenyl)pentane-1,3-dione Traditional Name: 1-[2-(methylthio)phenyl]pentane-1,3-dione Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)C1=CC=CC=C1SC

Isomeric SMILES

CCC(=O)CC(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C12H14O2S/c1-3-9(13)8-11(14)10-6-4-5-7-12(10)15-2/h4-7H,3,8H2,1-2H3