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

Systemtic Name: 9-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C25H29BrO5 MolecularWeight: 489.39876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)Br)O

InChI

InChI=1S/C25H29BrO5/c1-6-30-17-8-13(7-14(26)23(17)29)20-21-15(27)9-24(2,3)11-18(21)31-19-12-25(4,5)10-16(28)22(19)20/h7-8,20,29H,6,9-12H2,1-5H3