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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-hexan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-hexan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-1-hexanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethylhexan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-hexan-1-one Formula: C17H24O3 MolecularWeight: 276.37066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O3/c1-3-5-7-13(4-2)17(18)14-8-9-15-16(12-14)20-11-6-10-19-15/h8-9,12-13H,3-7,10-11H2,1-2H3