2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(furan-2-yl)cyclohexane-1,3-dione

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(furan-2-yl)cyclohexane-1,3-dione Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(2-furyl)cyclohexane-1,3-dione CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-(2-furanyl)cyclohexane-1,3-dione IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(furan-2-yl)cyclohexane-1,3-dione Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(2-furyl)cyclohexane-1,3-quinone Formula: C20H18O6 MolecularWeight: 354.35332

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CO4

Isomeric SMILES

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CO4

InChI

InChI=1S/C20H18O6/c21-14(5-3-12-4-6-18-19(8-12)26-11-25-18)20-15(22)9-13(10-16(20)23)17-2-1-7-24-17/h1-2,4,6-8,13,20H,3,5,9-11H2