7-bromanyl-1,3-benzodioxole-4-carboxylic acid

Systemtic Name: 7-bromanyl-1,3-benzodioxole-4-carboxylic acid Openeye Name: 7-bromo-1,3-benzodioxole-4-carboxylic acid CAS Name: 7-bromo-1,3-benzodioxole-4-carboxylic acid IUPAC Name: 7-bromo-1,3-benzodioxole-4-carboxylic acid Traditional Name: 7-bromo-1,3-benzodioxole-4-carboxylic acid Formula: C8H5BrO4 MolecularWeight: 245.0269

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(C=CC(=C2O1)Br)C(=O)O

Isomeric SMILES

C1OC2=C(C=CC(=C2O1)Br)C(=O)O

InChI

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