3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,3,4,5,6-pentadeuteriophenyl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,3,4,5,6-pentadeuteriophenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,3,4,5,6-pentadeuteriophenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,3,4,5,6-pentadeuteriophenyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,3,4,5,6-pentadeuteriophenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,3,4,5,6-pentadeuteriophenyl)methanone Formula: C16H14O3 MolecularWeight: 259.311369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C2=CC3=C(C=C2)OCCCO3)[2H])[2H]

InChI

InChI=1S/C16H14O3/c17-16(12-5-2-1-3-6-12)13-7-8-14-15(11-13)19-10-4-9-18-14/h1-3,5-8,11H,4,9-10H2/i1D,2D,3D,5D,6D