5-(1,3-benzodioxol-5-yl)-2-ethanoyl-cyclohexane-1,3-dione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-ethanoyl-cyclohexane-1,3-dione Openeye Name: 2-acetyl-5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione CAS Name: 2-acetyl-5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione IUPAC Name: 2-acetyl-5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione Traditional Name: 2-acetyl-5-(1,3-benzodioxol-5-yl)cyclohexane-1,3-quinone Formula: C15H14O5 MolecularWeight: 274.26866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H14O5/c1-8(16)15-11(17)4-10(5-12(15)18)9-2-3-13-14(6-9)20-7-19-13/h2-3,6,10,15H,4-5,7H2,1H3