3-(4-methylphenyl)sulfanyl-2-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 3-(4-methylphenyl)sulfanyl-2-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-hydroxy-3-(p-tolylsulfanyl)cyclohex-2-en-1-one CAS Name: 2-hydroxy-3-[(4-methylphenyl)thio]-1-cyclohex-2-enone IUPAC Name: 2-hydroxy-3-(4-methylphenyl)sulfanylcyclohex-2-en-1-one Traditional Name: 2-hydroxy-3-(p-tolylthio)cyclohex-2-en-1-one Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)CCC2)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)CCC2)O

InChI

InChI=1S/C13H14O2S/c1-9-5-7-10(8-6-9)16-12-4-2-3-11(14)13(12)15/h5-8,15H,2-4H2,1H3