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

Systemtic Name: 9-(5-bromanyl-2-butoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(5-bromo-2-butoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(5-bromo-2-butoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(5-bromo-2-butoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(5-bromo-2-butoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C23H25BrO4 MolecularWeight: 445.3462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

InChI

InChI=1S/C23H25BrO4/c1-2-3-12-27-18-11-10-14(24)13-15(18)21-22-16(25)6-4-8-19(22)28-20-9-5-7-17(26)23(20)21/h10-11,13,21H,2-9,12H2,1H3