6-bromanyl-7-(3,5-ditert-butyl-4-oxidanyl-phenyl)quinoline-5,8-dione

Systemtic Name: 6-bromanyl-7-(3,5-ditert-butyl-4-oxidanyl-phenyl)quinoline-5,8-dione Openeye Name: 6-bromo-7-(3,5-ditert-butyl-4-hydroxy-phenyl)quinoline-5,8-dione CAS Name: 6-bromo-7-(3,5-ditert-butyl-4-hydroxyphenyl)quinoline-5,8-dione IUPAC Name: 6-bromo-7-(3,5-ditert-butyl-4-hydroxyphenyl)quinoline-5,8-dione Traditional Name: 6-bromo-7-(3,5-ditert-butyl-4-hydroxy-phenyl)quinoline-5,8-quinone Formula: C23H24BrNO3 MolecularWeight: 442.34556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C(=O)C3=C(C2=O)N=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C(=O)C3=C(C2=O)N=CC=C3)Br

InChI

InChI=1S/C23H24BrNO3/c1-22(2,3)14-10-12(11-15(20(14)27)23(4,5)6)16-17(24)19(26)13-8-7-9-25-18(13)21(16)28/h7-11,27H,1-6H3