7-bromanyl-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 7-bromanyl-1,3-benzodioxole-5-carboxylic acid Openeye Name: 7-bromo-1,3-benzodioxole-5-carboxylic acid CAS Name: 7-bromo-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 7-bromo-1,3-benzodioxole-5-carboxylic acid Traditional Name: 7-bromo-piperonylic acid Formula: C8H5BrO4 MolecularWeight: 245.0269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5BrO4/c9-5-1-4(8(10)11)2-6-7(5)13-3-12-6/h1-2H,3H2,(H,10,11)