3-(1,3-benzodioxol-5-ylmethyl)pentane-2,4-dione

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)pentane-2,4-dione Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)pentane-2,4-dione CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)pentane-2,4-dione IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)pentane-2,4-dione Traditional Name: 3-piperonylpentane-2,4-dione Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC2=C(C=C1)OCO2)C(=O)C

Isomeric SMILES

CC(=O)C(CC1=CC2=C(C=C1)OCO2)C(=O)C

InChI

InChI=1S/C13H14O4/c1-8(14)11(9(2)15)5-10-3-4-12-13(6-10)17-7-16-12/h3-4,6,11H,5,7H2,1-2H3