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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,3-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,3-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,3-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,3-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,3-dione Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c1-9(14)7-11(15)10-3-4-12-13(8-10)17-6-2-5-16-12/h3-4,8H,2,5-7H2,1H3