1-[2,4-bis(oxidanyl)-5-propyl-phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone

Systemtic Name: 1-[2,4-bis(oxidanyl)-5-propyl-phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-5-propyl-phenyl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-5-propyl-phenyl)ethanone Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C(=O)CC2=CC3=C(C=C2)OCCCO3)O)O

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C(=O)CC2=CC3=C(C=C2)OCCCO3)O)O

InChI

InChI=1S/C20H22O5/c1-2-4-14-11-15(18(23)12-16(14)21)17(22)9-13-5-6-19-20(10-13)25-8-3-7-24-19/h5-6,10-12,21,23H,2-4,7-9H2,1H3