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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)CC(CC1=O)CC(C)SCC

Isomeric SMILES

CCC(=O)C1C(=O)CC(CC1=O)CC(C)SCC

InChI

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