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

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

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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)C=CN=C3)Br

Isomeric SMILES

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

InChI

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