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

Systemtic Name: 3-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-oxo-propanoic acid CAS Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-oxopropanoic acid IUPAC Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-oxopropanoic acid Traditional Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-keto-propionic acid Formula: C12H11BrO5 MolecularWeight: 315.11674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrO5/c13-8-4-7(5-9(14)12(15)16)6-10-11(8)18-3-1-2-17-10/h4,6H,1-3,5H2,(H,15,16)