2-(2,6-diethyl-4-methyl-phenyl)-5-(2-methylsulfanylpropan-2-yl)-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-(2,6-diethyl-4-methyl-phenyl)-5-(2-methylsulfanylpropan-2-yl)-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-(2,6-diethyl-4-methyl-phenyl)-3-hydroxy-5-(1-methyl-1-methylsulfanyl-ethyl)cyclohex-2-en-1-one CAS Name: 2-(2,6-diethyl-4-methylphenyl)-3-hydroxy-5-[2-(methylthio)propan-2-yl]-1-cyclohex-2-enone IUPAC Name: 2-(2,6-diethyl-4-methylphenyl)-3-hydroxy-5-(2-methylsulfanylpropan-2-yl)cyclohex-2-en-1-one Traditional Name: 2-(2,6-diethyl-4-methyl-phenyl)-3-hydroxy-5-[1-methyl-1-(methylthio)ethyl]cyclohex-2-en-1-one Formula: C21H30O2S MolecularWeight: 346.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1C2=C(CC(CC2=O)C(C)(C)SC)O)CC)C

Isomeric SMILES

CCC1=CC(=CC(=C1C2=C(CC(CC2=O)C(C)(C)SC)O)CC)C

InChI

InChI=1S/C21H30O2S/c1-7-14-9-13(3)10-15(8-2)19(14)20-17(22)11-16(12-18(20)23)21(4,5)24-6/h9-10,16,22H,7-8,11-12H2,1-6H3