2-(1,3-benzodioxol-5-ylcarbonyl)-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonyl)-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-(1,3-benzodioxole-5-carbonyl)-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[1,3-benzodioxol-5-yl(oxo)methyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-(1,3-benzodioxole-5-carbonyl)-5-phenylcyclohexane-1,3-dione Traditional Name: 5-phenyl-2-piperonyloyl-cyclohexane-1,3-quinone Formula: C20H16O5 MolecularWeight: 336.33804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16O5/c21-15-8-14(12-4-2-1-3-5-12)9-16(22)19(15)20(23)13-6-7-17-18(10-13)25-11-24-17/h1-7,10,14,19H,8-9,11H2