9-[3,4-bis(oxidanyl)phenyl]-3,6-diphenyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-[3,4-bis(oxidanyl)phenyl]-3,6-diphenyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3,4-dihydroxyphenyl)-3,6-diphenyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3,4-dihydroxyphenyl)-3,6-diphenyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3,4-dihydroxyphenyl)-3,6-diphenyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3,4-dihydroxyphenyl)-3,6-diphenyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C31H26O5 MolecularWeight: 478.53514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1OC3=C(C2C4=CC(=C(C=C4)O)O)C(=O)CC(C3)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C(CC(=O)C2=C1OC3=C(C2C4=CC(=C(C=C4)O)O)C(=O)CC(C3)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H26O5/c32-23-12-11-20(13-24(23)33)29-30-25(34)14-21(18-7-3-1-4-8-18)16-27(30)36-28-17-22(15-26(35)31(28)29)19-9-5-2-6-10-19/h1-13,21-22,29,32-33H,14-17H2