1-(1,3-benzodioxol-5-yl)pentane-1,4-dione

Systemtic Name: 1-(1,3-benzodioxol-5-yl)pentane-1,4-dione Openeye Name: 1-(1,3-benzodioxol-5-yl)pentane-1,4-dione CAS Name: 1-(1,3-benzodioxol-5-yl)pentane-1,4-dione IUPAC Name: 1-(1,3-benzodioxol-5-yl)pentane-1,4-dione Traditional Name: 1-(1,3-benzodioxol-5-yl)pentane-1,4-dione Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O4/c1-8(13)2-4-10(14)9-3-5-11-12(6-9)16-7-15-11/h3,5-6H,2,4,7H2,1H3