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

Systemtic Name: 2-butyl-3-ethanoyl-cyclohexane-1,4-dione Openeye Name: 2-acetyl-3-butyl-cyclohexane-1,4-dione CAS Name: 2-acetyl-3-butylcyclohexane-1,4-dione IUPAC Name: 2-acetyl-3-butylcyclohexane-1,4-dione Traditional Name: 2-acetyl-3-butyl-cyclohexane-1,4-quinone Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(=O)CCC1=O)C(=O)C

Isomeric SMILES

CCCCC1C(C(=O)CCC1=O)C(=O)C

InChI

InChI=1S/C12H18O3/c1-3-4-5-9-10(14)6-7-11(15)12(9)8(2)13/h9,12H,3-7H2,1-2H3