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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)hexan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)hexan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-hexanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)hexan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)hexan-1-one Formula: C15H20O3 MolecularWeight: 248.3175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O3/c1-2-3-4-6-13(16)12-7-8-14-15(11-12)18-10-5-9-17-14/h7-8,11H,2-6,9-10H2,1H3