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

Systemtic Name: 3-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid Openeye Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid CAS Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid IUPAC Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid Traditional Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propionic acid Formula: C12H13BrO4 MolecularWeight: 301.13322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO4/c13-9-6-8(2-3-11(14)15)7-10-12(9)17-5-1-4-16-10/h6-7H,1-5H2,(H,14,15)