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

Systemtic Name: 9-(3-phenoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-phenoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-phenoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-phenoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-phenoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C25H22O4 MolecularWeight: 386.43978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22O4/c26-19-11-5-13-21-24(19)23(25-20(27)12-6-14-22(25)29-21)16-7-4-10-18(15-16)28-17-8-2-1-3-9-17/h1-4,7-10,15,23H,5-6,11-14H2