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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pentanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentan-1-one Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-2-3-5-12(15)11-6-7-13-14(10-11)17-9-4-8-16-13/h6-7,10H,2-5,8-9H2,1H3