5-(1-ethylsulfanylpropyl)-2-propanoyl-cyclohexane-1,3-dione

Systemtic Name: 5-(1-ethylsulfanylpropyl)-2-propanoyl-cyclohexane-1,3-dione Openeye Name: 5-(1-ethylsulfanylpropyl)-2-propanoyl-cyclohexane-1,3-dione CAS Name: 5-[1-(ethylthio)propyl]-2-(1-oxopropyl)cyclohexane-1,3-dione IUPAC Name: 5-(1-ethylsulfanylpropyl)-2-propanoylcyclohexane-1,3-dione Traditional Name: 5-[1-(ethylthio)propyl]-2-propionyl-cyclohexane-1,3-quinone Formula: C14H22O3S MolecularWeight: 270.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CC(=O)C(C(=O)C1)C(=O)CC)SCC

Isomeric SMILES

CCC(C1CC(=O)C(C(=O)C1)C(=O)CC)SCC

InChI

InChI=1S/C14H22O3S/c1-4-10(15)14-11(16)7-9(8-12(14)17)13(5-2)18-6-3/h9,13-14H,4-8H2,1-3H3