1-(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)pentane-1,4-dione

Systemtic Name: 1-(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)pentane-1,4-dione Openeye Name: 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentane-1,4-dione CAS Name: 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentane-1,4-dione IUPAC Name: 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentane-1,4-dione Traditional Name: 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentane-1,4-dione Formula: C13H13BrO4 MolecularWeight: 313.14392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)C1=CC2=C(C(=C1)Br)OCCO2

Isomeric SMILES

CC(=O)CCC(=O)C1=CC2=C(C(=C1)Br)OCCO2

InChI

InChI=1S/C13H13BrO4/c1-8(15)2-3-11(16)9-6-10(14)13-12(7-9)17-4-5-18-13/h6-7H,2-5H2,1H3