5-bromanyl-6-(phenylcarbonyl)-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-bromanyl-6-(phenylcarbonyl)-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-benzoyl-6-bromo-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-benzoyl-6-bromo-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-benzoyl-6-bromo-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-benzoyl-6-bromo-1,3-benzodioxole-2-carboxylic acid Formula: C15H9BrO5 MolecularWeight: 349.13296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2Br)OC(O3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2Br)OC(O3)C(=O)O

InChI

InChI=1S/C15H9BrO5/c16-10-7-12-11(20-15(21-12)14(18)19)6-9(10)13(17)8-4-2-1-3-5-8/h1-7,15H,(H,18,19)