3-(7-bromanyl-1,3-benzodioxol-5-yl)propanoic acid

Systemtic Name: 3-(7-bromanyl-1,3-benzodioxol-5-yl)propanoic acid Openeye Name: 3-(7-bromo-1,3-benzodioxol-5-yl)propanoic acid CAS Name: 3-(7-bromo-1,3-benzodioxol-5-yl)propanoic acid IUPAC Name: 3-(7-bromo-1,3-benzodioxol-5-yl)propanoic acid Traditional Name: 3-(7-bromo-1,3-benzodioxol-5-yl)propionic acid Formula: C10H9BrO4 MolecularWeight: 273.08006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CCC(=O)O)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CCC(=O)O)Br

InChI

InChI=1S/C10H9BrO4/c11-7-3-6(1-2-9(12)13)4-8-10(7)15-5-14-8/h3-4H,1-2,5H2,(H,12,13)