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

Systemtic Name: 7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C10H9BrO4 MolecularWeight: 273.08006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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