Chem
J-GLOBAL ID：201407035474403627
Nikkaji number：J3.294.862F
4-[α-(3′,5′-Diethynyl-4-biphenylyl)-4-hydroxy-3,5-di-tert-butylbenzylidene]-2,6-di-tert-butyl-2,5-cyclohexadiene-1-one
4-[α-(3′,5′-ジエチニル-4-ビフェニリル)-4-ヒドロキシ-3,5-ジ-tert-ブチルベンジリデン]-2,6-ジ-tert-ブチル-2,5-シクロヘキサジエン-1-オン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C45H50O2
Molecular formula furigana： C45-H50-O2
Molecular weight： 622.893
InChI：
InChI=1S/C45H50O2/c1-15-28-21-29(16-2)23-32(22-28)30-17-19-31(20-18-30)39(33-24-35(42(3,4)5)40(46)36(25-33)43(6,7)8)34-26-37(44(9,10)11)41(47)38(27-34)45(12,13)14/h1-2,17-27,46H,3-14H3
InChI key：
XWFQGOUZJMZUAM-UHFFFAOYSA-N
SMILES：
CC(C)(C)C1=C/C(=C(/c2ccc(cc2)c2cc(cc(c2)C#C)C#C)\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C
Systematic name (3)：
- 4-[α-(3′,5′-ジエチニル-4-ビフェニリル)-4-ヒドロキシ-3,5-ジ-tert-ブチルベンジリデン]-2,6-ジ-tert-ブチル-2,5-シクロヘキサジエン-1-オン
- 2,6-ジ-tert-ブチル-4-[(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)({3',5'-ジエチニル-[1,1'-ビフェニル]-4-イル})メチリデン]シクロヘキサ-2,5-ジエン-1-オン
- 2,6-di-tert-butyl-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)({3',5'-diethynyl-[1,1'-biphenyl]-4-yl})methylidene]cyclohexa-2,5-dien-1-one
- 4-[α-(3′,5′-Diethynyl-4-biphenylyl)-4-hydroxy-3,5-di-tert-butylbenzylidene]-2,6-di-tert-butyl-2,5-cyclohexadiene-1-one
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