7-(2-phenylethynyl)-1,3,5-benzotrioxepine-2,4-dione

Systemtic Name: 7-(2-phenylethynyl)-1,3,5-benzotrioxepine-2,4-dione Openeye Name: 7-(2-phenylethynyl)-1,3,5-benzotrioxepine-2,4-dione CAS Name: 7-(2-phenylethynyl)-1,3,5-benzotrioxepin-2,4-dione IUPAC Name: 7-(2-phenylethynyl)-1,3,5-benzotrioxepine-2,4-dione Traditional Name: 7-(2-phenylethynyl)-1,3,5-benzotrioxepin-2,4-quinone Formula: C16H8O5 MolecularWeight: 280.23172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OC(=O)OC(=O)O3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OC(=O)OC(=O)O3

InChI

InChI=1S/C16H8O5/c17-15-19-13-9-8-12(10-14(13)20-16(18)21-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H