6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 6-bromo-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 6-bromo-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C10H9BrO4 MolecularWeight: 273.08006

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)O)Br)OC1

InChI

InChI=1S/C10H9BrO4/c11-7-4-6(10(12)13)5-8-9(7)15-3-1-2-14-8/h4-5H,1-3H2,(H,12,13)