1-(4-methylsulfanylphenyl)pentane-1,4-dione

Systemtic Name: 1-(4-methylsulfanylphenyl)pentane-1,4-dione Openeye Name: 1-(4-methylsulfanylphenyl)pentane-1,4-dione CAS Name: 1-[4-(methylthio)phenyl]pentane-1,4-dione IUPAC Name: 1-(4-methylsulfanylphenyl)pentane-1,4-dione Traditional Name: 1-[4-(methylthio)phenyl]pentane-1,4-dione Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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