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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C(=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H14O5/c16-10-2-1-3-11(17)15(10)12(18)6-9-4-5-13-14(7-9)20-8-19-13/h4-5,7,15H,1-3,6,8H2