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

Systemtic Name: 9-(2-phenylmethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(2-benzyloxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(2-phenylmethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(2-phenylmethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(2-benzoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C26H24O4 MolecularWeight: 400.46636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C26H24O4/c27-19-11-6-14-22-25(19)24(26-20(28)12-7-15-23(26)30-22)18-10-4-5-13-21(18)29-16-17-8-2-1-3-9-17/h1-5,8-10,13,24H,6-7,11-12,14-16H2