3-[2-(2,5-dihydro-1-benzoxepin-3-yl)ethynyl]-2,5-dihydro-1-benzoxepine

Systemtic Name: 3-[2-(2,5-dihydro-1-benzoxepin-3-yl)ethynyl]-2,5-dihydro-1-benzoxepine Openeye Name: 3-[2-(2,5-dihydro-1-benzoxepin-3-yl)ethynyl]-2,5-dihydro-1-benzoxepine CAS Name: 3-[2-(2,5-dihydro-1-benzoxepin-3-yl)ethynyl]-2,5-dihydro-1-benzoxepin IUPAC Name: 3-[2-(2,5-dihydro-1-benzoxepin-3-yl)ethynyl]-2,5-dihydro-1-benzoxepine Traditional Name: 3-[2-(2,5-dihydro-1-benzoxepin-3-yl)ethynyl]-2,5-dihydro-1-benzoxepin Formula: C22H18O2 MolecularWeight: 314.37712

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(COC2=CC=CC=C21)C#CC3=CCC4=CC=CC=C4OC3

Isomeric SMILES

C1C=C(COC2=CC=CC=C21)C#CC3=CCC4=CC=CC=C4OC3

InChI

InChI=1S/C22H18O2/c1-3-7-21-19(5-1)13-11-17(15-23-21)9-10-18-12-14-20-6-2-4-8-22(20)24-16-18/h1-8,11-12H,13-16H2