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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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