9-(4-fluoranyl-3-phenoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-(4-fluoranyl-3-phenoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(4-fluoro-3-phenoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(4-fluoro-3-phenoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(4-fluoro-3-phenoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(4-fluoro-3-phenoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C25H21FO4 MolecularWeight: 404.430243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=C(C=C4)F)OC5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=C(C=C4)F)OC5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C25H21FO4/c26-17-13-12-15(14-22(17)29-16-6-2-1-3-7-16)23-24-18(27)8-4-10-20(24)30-21-11-5-9-19(28)25(21)23/h1-3,6-7,12-14,23H,4-5,8-11H2