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

Systemtic Name: 9-(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(2-bromo-5-ethoxy-4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(2-bromo-5-ethoxy-4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C21H21BrO5 MolecularWeight: 433.29244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO5/c1-2-26-18-9-11(12(22)10-15(18)25)19-20-13(23)5-3-7-16(20)27-17-8-4-6-14(24)21(17)19/h9-10,19,25H,2-8H2,1H3