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

Systemtic Name: 2-ethanoyl-3-oxidanyl-5-(thian-3-yl)cyclohex-2-en-1-one Openeye Name: 2-acetyl-3-hydroxy-5-tetrahydrothiopyran-3-yl-cyclohex-2-en-1-one CAS Name: 2-acetyl-3-hydroxy-5-(3-thianyl)-1-cyclohex-2-enone IUPAC Name: 2-acetyl-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one Traditional Name: 2-acetyl-3-hydroxy-5-tetrahydrothiopyran-3-yl-cyclohex-2-en-1-one Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(CC(CC1=O)C2CCCSC2)O

Isomeric SMILES

CC(=O)C1=C(CC(CC1=O)C2CCCSC2)O

InChI

InChI=1S/C13H18O3S/c1-8(14)13-11(15)5-10(6-12(13)16)9-3-2-4-17-7-9/h9-10,15H,2-7H2,1H3