2-ethanoyl-3-pentyl-cyclohexane-1,4-dione

Systemtic Name: 2-ethanoyl-3-pentyl-cyclohexane-1,4-dione Openeye Name: 2-acetyl-3-pentyl-cyclohexane-1,4-dione CAS Name: 2-acetyl-3-pentylcyclohexane-1,4-dione IUPAC Name: 2-acetyl-3-pentylcyclohexane-1,4-dione Traditional Name: 2-acetyl-3-amyl-cyclohexane-1,4-quinone Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(=O)CCC1=O)C(=O)C

Isomeric SMILES

CCCCCC1C(C(=O)CCC1=O)C(=O)C

InChI

InChI=1S/C13H20O3/c1-3-4-5-6-10-11(15)7-8-12(16)13(10)9(2)14/h10,13H,3-8H2,1-2H3