5-(4-methylsulfanylphenyl)cyclohexane-1,3-dione

Systemtic Name: 5-(4-methylsulfanylphenyl)cyclohexane-1,3-dione Openeye Name: 5-(4-methylsulfanylphenyl)cyclohexane-1,3-dione CAS Name: 5-[4-(methylthio)phenyl]cyclohexane-1,3-dione IUPAC Name: 5-(4-methylsulfanylphenyl)cyclohexane-1,3-dione Traditional Name: 5-[4-(methylthio)phenyl]cyclohexane-1,3-quinone Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2CC(=O)CC(=O)C2

Isomeric SMILES

CSC1=CC=C(C=C1)C2CC(=O)CC(=O)C2

InChI

InChI=1S/C13H14O2S/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,10H,6-8H2,1H3