1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)octane-1,3-dione

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)octane-1,3-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)octane-1,3-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)octane-1,3-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)octane-1,3-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)octane-1,3-dione Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O4/c1-2-3-4-6-14(18)12-15(19)13-7-8-16-17(11-13)21-10-5-9-20-16/h7-8,11H,2-6,9-10,12H2,1H3