2-[[3-(1-adamantyl)-5-bromanyl-2-oxidanyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(1-adamantyl)-5-bromanyl-2-oxidanyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(1-adamantyl)-5-bromo-2-hydroxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-(1-adamantyl)-5-bromo-2-hydroxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(1-adamantyl)-5-bromo-2-hydroxyphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(1-adamantyl)-5-bromo-2-hydroxy-benzyl]isoindoline-1,3-quinone Formula: C25H24BrNO3 MolecularWeight: 466.36696

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=CC(=C4O)CN5C(=O)C6=CC=CC=C6C5=O)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=CC(=C4O)CN5C(=O)C6=CC=CC=C6C5=O)Br

InChI

InChI=1S/C25H24BrNO3/c26-18-8-17(13-27-23(29)19-3-1-2-4-20(19)24(27)30)22(28)21(9-18)25-10-14-5-15(11-25)7-16(6-14)12-25/h1-4,8-9,14-16,28H,5-7,10-13H2