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

Systemtic Name: 1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butan-1-one Openeye Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butan-1-one CAS Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-butanone IUPAC Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butan-1-one Traditional Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butan-1-one Formula: C13H15BrO3 MolecularWeight: 299.1604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrO3/c1-2-4-11(15)9-7-12-13(8-10(9)14)17-6-3-5-16-12/h7-8H,2-6H2,1H3