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

Systemtic Name: 3-bromanyl-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-6-methyl-naphthalene-1,4-dione Openeye Name: 3-bromo-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-methyl-naphthalene-1,4-dione CAS Name: 3-bromo-2-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methylnaphthalene-1,4-dione IUPAC Name: 3-bromo-2-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methylnaphthalene-1,4-dione Traditional Name: 3-bromo-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-methyl-1,4-naphthoquinone Formula: C25H27BrO3 MolecularWeight: 455.38408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C(C2=O)Br)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=C(C2=O)Br)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H27BrO3/c1-13-8-9-15-16(10-13)22(28)20(26)19(21(15)27)14-11-17(24(2,3)4)23(29)18(12-14)25(5,6)7/h8-12,29H,1-7H3