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

Systemtic Name: 9-(5-bromanyl-2-phenylmethoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(2-benzyloxy-5-bromo-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(5-bromo-2-phenylmethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(5-bromo-2-phenylmethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(2-benzoxy-5-bromo-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C26H23BrO4 MolecularWeight: 479.36242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(O2)CCCC3=O)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C3=C(O2)CCCC3=O)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C26H23BrO4/c27-17-12-13-21(30-15-16-6-2-1-3-7-16)18(14-17)24-25-19(28)8-4-10-22(25)31-23-11-5-9-20(29)26(23)24/h1-3,6-7,12-14,24H,4-5,8-11,15H2