2-bromanyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5,6-dimethyl-naphthalene-1,4-dione

Systemtic Name: 2-bromanyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5,6-dimethyl-naphthalene-1,4-dione Openeye Name: 2-bromo-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-5,6-dimethyl-naphthalene-1,4-dione CAS Name: 2-bromo-3-(3,5-ditert-butyl-4-hydroxyphenyl)-5,6-dimethylnaphthalene-1,4-dione IUPAC Name: 2-bromo-3-(3,5-ditert-butyl-4-hydroxyphenyl)-5,6-dimethylnaphthalene-1,4-dione Traditional Name: 2-bromo-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-5,6-dimethyl-1,4-naphthoquinone Formula: C26H29BrO3 MolecularWeight: 469.41066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C(=C(C2=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C(=C(C2=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)Br)C

InChI

InChI=1S/C26H29BrO3/c1-13-9-10-16-19(14(13)2)24(30)20(21(27)22(16)28)15-11-17(25(3,4)5)23(29)18(12-15)26(6,7)8/h9-12,29H,1-8H3