1-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentane-1,4-dione

Systemtic Name: 1-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentane-1,4-dione Openeye Name: 1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentane-1,4-dione CAS Name: 1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentane-1,4-dione IUPAC Name: 1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentane-1,4-dione Traditional Name: 1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentane-1,4-dione Formula: C14H15ClO4 MolecularWeight: 282.7195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClO4/c1-9(16)3-4-12(17)10-7-11(15)14-13(8-10)18-5-2-6-19-14/h7-8H,2-6H2,1H3