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

Systemtic Name: 9-(5-bromanyl-2-propoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(5-bromo-2-propoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(5-bromo-2-propoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(5-bromo-2-propoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(5-bromo-2-propoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C22H23BrO4 MolecularWeight: 431.31962

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

InChI

InChI=1S/C22H23BrO4/c1-2-11-26-17-10-9-13(23)12-14(17)20-21-15(24)5-3-7-18(21)27-19-8-4-6-16(25)22(19)20/h9-10,12,20H,2-8,11H2,1H3