Chem
J-GLOBAL ID：200907068810358177
Nikkaji number：J1.404.462K
3,3′-[(10-Methoxy-1,8-anthracenediyl)bisethynylenebis[2-(hydroxymethyl)-4,1-phenylene]bisethynylene]bis(benzyl alcohol)
3,3′-[(10-メトキシ-1,8-アントラセンジイル)ビスエチニレンビス[2-(ヒドロキシメチル)-4,1-フェニレン]ビスエチニレン]ビス(ベンジルアルコール)
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： C51H36O5
Molecular formula furigana： C51-H36-O5
Molecular weight： 728.844
InChI：
InChI=1S/C51H36O5/c1-56-51-47-12-4-10-43(24-18-37-16-22-41(45(28-37)33-54)20-14-35-6-2-8-39(26-35)31-52)49(47)30-50-44(11-5-13-48(50)51)25-19-38-17-23-42(46(29-38)34-55)21-15-36-7-3-9-40(27-36)32-53/h2-13,16-17,22-23,26-30,52-55H,31-34H2,1H3
InChI key：
QFHQIYAWPMOGHF-UHFFFAOYSA-N
SMILES：
COc1c2cccc(C#Cc3ccc(C#Cc4cccc(CO)c4)c(CO)c3)c2cc2c(cccc12)C#Cc1ccc(C#Cc2cccc(CO)c2)c(CO)c1
Systematic name (3)：
- 3,3′-[(10-メトキシ-1,8-アントラセンジイル)ビスエチニレンビス[2-(ヒドロキシメチル)-4,1-フェニレン]ビスエチニレン]ビス(ベンジルアルコール)
- {5-[2-(8-{2-[3-(ヒドロキシメチル)-4-{2-[3-(ヒドロキシメチル)フェニル]エチニル}フェニル]エチニル}-10-メトキシアントラセン-1-イル)エチニル]-2-{2-[3-(ヒドロキシメチル)フェニル]エチニル}フェニル}メタノール
- {5-[2-(8-{2-[3-(hydroxymethyl)-4-{2-[3-(hydroxymethyl)phenyl]ethynyl}phenyl]ethynyl}-10-methoxyanthracen-1-yl)ethynyl]-2-{2-[3-(hydroxymethyl)phenyl]ethynyl}phenyl}methanol
- 3,3′-[(10-Methoxy-1,8-anthracenediyl)bisethynylenebis[2-(hydroxymethyl)-4,1-phenylene]bisethynylene]bis(benzyl alcohol)
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