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

Systemtic Name: 9-(2-bromanyl-5-ethoxy-4-propoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(2-bromo-5-ethoxy-4-propoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(2-bromo-5-ethoxy-4-propoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(2-bromo-5-ethoxy-4-propoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(2-bromo-5-ethoxy-4-propoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C24H27BrO5 MolecularWeight: 475.37218

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrO5/c1-3-11-29-21-13-15(25)14(12-20(21)28-4-2)22-23-16(26)7-5-9-18(23)30-19-10-6-8-17(27)24(19)22/h12-13,22H,3-11H2,1-2H3