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

Systemtic Name: 9-(5-bromanyl-2-ethoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(5-bromo-2-ethoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(5-bromo-2-ethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(5-bromo-2-ethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(5-bromo-2-ethoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C21H21BrO4 MolecularWeight: 417.29304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

InChI

InChI=1S/C21H21BrO4/c1-2-25-16-10-9-12(22)11-13(16)19-20-14(23)5-3-7-17(20)26-18-8-4-6-15(24)21(18)19/h9-11,19H,2-8H2,1H3