2-propanoyl-5-(thian-3-yl)cyclohexane-1,3-dione

Systemtic Name: 2-propanoyl-5-(thian-3-yl)cyclohexane-1,3-dione Openeye Name: 2-propanoyl-5-tetrahydrothiopyran-3-yl-cyclohexane-1,3-dione CAS Name: 2-(1-oxopropyl)-5-(3-thianyl)cyclohexane-1,3-dione IUPAC Name: 2-propanoyl-5-(thian-3-yl)cyclohexane-1,3-dione Traditional Name: 2-propionyl-5-tetrahydrothiopyran-3-yl-cyclohexane-1,3-quinone Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)CC(CC1=O)C2CCCSC2

Isomeric SMILES

CCC(=O)C1C(=O)CC(CC1=O)C2CCCSC2

InChI

InChI=1S/C14H20O3S/c1-2-11(15)14-12(16)6-10(7-13(14)17)9-4-3-5-18-8-9/h9-10,14H,2-8H2,1H3