Chem
J-GLOBAL ID：200907099157668656
Nikkaji number：J637.665G
4-Octyloxy-4′-methyl[1,1′-(1,3-butadiyne-1,4-diyl)bisbenzene]
1-[4-(4-メチルフェニル)ブタ-1,3-ジイン-1-イル]-4-(オクチルオキシ)ベンゼン
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： C25H28O
Molecular formula furigana： C25-H28-O
Molecular weight： 344.498
InChI：
InChI=1S/C25H28O/c1-3-4-5-6-7-10-21-26-25-19-17-24(18-20-25)12-9-8-11-23-15-13-22(2)14-16-23/h13-20H,3-7,10,21H2,1-2H3
InChI key：
WBJGAKINVFKINB-UHFFFAOYSA-N
SMILES：
CCCCCCCCOc1ccc(cc1)C#CC#Cc1ccc(C)cc1
Systematic name (3)：
- 4-オクチルオキシ-4′-メチル[1,1′-(1,3-ブタジイン-1,4-ジイル)ビスベンゼン]
- 1-[4-(4-メチルフェニル)ブタ-1,3-ジイン-1-イル]-4-(オクチルオキシ)ベンゼン
- 1-[4-(4-methylphenyl)buta-1,3-diyn-1-yl]-4-(octyloxy)benzene
- 4-Octyloxy-4′-methyl[1,1′-(1,3-butadiyne-1,4-diyl)bisbenzene]
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