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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-butanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butan-1-one Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-2-4-11(14)10-5-6-12-13(9-10)16-8-3-7-15-12/h5-6,9H,2-4,7-8H2,1H3