1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-one

Systemtic Name: 1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-one Openeye Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-one CAS Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-propanone IUPAC Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-one Traditional Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-one Formula: C12H13BrO3 MolecularWeight: 285.13382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1Br)OCCCO2

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1Br)OCCCO2

InChI

InChI=1S/C12H13BrO3/c1-2-10(14)8-6-11-12(7-9(8)13)16-5-3-4-15-11/h6-7H,2-5H2,1H3