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

Systemtic Name: 1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentan-1-one Openeye Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentan-1-one CAS Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-pentanone IUPAC Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentan-1-one Traditional Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentan-1-one Formula: C14H17BrO3 MolecularWeight: 313.18698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrO3/c1-2-3-5-12(16)10-8-13-14(9-11(10)15)18-7-4-6-17-13/h8-9H,2-7H2,1H3