2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropane-1-carboxylic acid

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropane-1-carboxylic acid Openeye Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropanecarboxylic acid CAS Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-cyclopropanecarboxylic acid IUPAC Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropane-1-carboxylic acid Traditional Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropanecarboxylic acid Formula: C13H13BrO4 MolecularWeight: 313.14392

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C3CC3C(=O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C3CC3C(=O)O)Br)OC1

InChI

InChI=1S/C13H13BrO4/c14-10-4-7(8-6-9(8)13(15)16)5-11-12(10)18-3-1-2-17-11/h4-5,8-9H,1-3,6H2,(H,15,16)