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

Systemtic Name: 9-(5-bromanyl-2-hexoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(5-bromo-2-hexoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(5-bromo-2-hexoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(5-bromo-2-hexoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(5-bromo-2-hexoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C25H29BrO4 MolecularWeight: 473.39936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

InChI

InChI=1S/C25H29BrO4/c1-2-3-4-5-14-29-20-13-12-16(26)15-17(20)23-24-18(27)8-6-10-21(24)30-22-11-7-9-19(28)25(22)23/h12-13,15,23H,2-11,14H2,1H3