5-(3-methylsulfanylphenyl)-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5-(3-methylsulfanylphenyl)-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5-(3-methylsulfanylphenyl)cyclohex-2-en-1-one CAS Name: 3-hydroxy-5-[3-(methylthio)phenyl]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5-(3-methylsulfanylphenyl)cyclohex-2-en-1-one Traditional Name: 3-hydroxy-5-[3-(methylthio)phenyl]cyclohex-2-en-1-one Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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