5-methyl-3-oxidanyl-2-(thian-2-yl)cyclohex-2-en-1-one

Systemtic Name: 5-methyl-3-oxidanyl-2-(thian-2-yl)cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5-methyl-2-tetrahydrothiopyran-2-yl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-5-methyl-2-(2-thianyl)-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5-methyl-2-(thian-2-yl)cyclohex-2-en-1-one Traditional Name: 3-hydroxy-5-methyl-2-tetrahydrothiopyran-2-yl-cyclohex-2-en-1-one Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C(C(=O)C1)C2CCCCS2)O

Isomeric SMILES

CC1CC(=C(C(=O)C1)C2CCCCS2)O

InChI

InChI=1S/C12H18O2S/c1-8-6-9(13)12(10(14)7-8)11-4-2-3-5-15-11/h8,11,13H,2-7H2,1H3