Chem
J-GLOBAL ID：200907015496437397
Nikkaji number：J848.944K
4-[Bis(3,6-di-tert-butylazulen-1-yl)methyl]phenol
4-[ビス(3,6-ジ-tert-ブチルアズレン-1-イル)メチル]フェノール
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： C43H52O
Molecular formula furigana： C43-H52-O
Molecular weight： 584.888
InChI：
InChI=1S/C43H52O/c1-40(2,3)28-15-21-31-33(23-17-28)37(42(7,8)9)25-35(31)39(27-13-19-30(44)20-14-27)36-26-38(43(10,11)12)34-24-18-29(41(4,5)6)16-22-32(34)36/h13-26,39,44H,1-12H3
InChI key：
PPIVZLASSFSBIH-UHFFFAOYSA-N
SMILES：
CC(C)(C)c1cc(C(c2cc(c3ccc(ccc23)C(C)(C)C)C(C)(C)C)c2ccc(O)cc2)c2ccc(ccc12)C(C)(C)C
Systematic name (2)：
- 4-[ビス(3,6-ジ-tert-ブチルアズレン-1-イル)メチル]フェノール
- 4-[bis(3,6-di-tert-butylazulen-1-yl)methyl]phenol
- 4-[Bis(3,6-di-tert-butylazulen-1-yl)methyl]phenol
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