3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-iodanylphenyl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-iodanylphenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-iodophenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-iodophenyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-iodophenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-iodophenyl)methanone Formula: C16H13IO3 MolecularWeight: 380.17709

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3I)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3I)OC1

InChI

InChI=1S/C16H13IO3/c17-13-5-2-1-4-12(13)16(18)11-6-7-14-15(10-11)20-9-3-8-19-14/h1-2,4-7,10H,3,8-9H2