2-bromanyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)anthracene-1,4-dione

Systemtic Name: 2-bromanyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)anthracene-1,4-dione Openeye Name: 2-bromo-3-(3,5-ditert-butyl-4-hydroxy-phenyl)anthracene-1,4-dione CAS Name: 2-bromo-3-(3,5-ditert-butyl-4-hydroxyphenyl)anthracene-1,4-dione IUPAC Name: 2-bromo-3-(3,5-ditert-butyl-4-hydroxyphenyl)anthracene-1,4-dione Traditional Name: 2-bromo-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,4-anthraquinone Formula: C28H27BrO3 MolecularWeight: 491.41618

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=CC4=CC=CC=C4C=C3C2=O)Br

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C(=O)C3=CC4=CC=CC=C4C=C3C2=O)Br

InChI

InChI=1S/C28H27BrO3/c1-27(2,3)20-13-17(14-21(26(20)32)28(4,5)6)22-23(29)25(31)19-12-16-10-8-7-9-15(16)11-18(19)24(22)30/h7-14,32H,1-6H3