Chem
J-GLOBAL ID：200907089652707611
Nikkaji number：J2.235.378K
4,4′-[2,5-Bis(hexyloxy)-1,4-phenylenebis[[(E)-2,1-ethenediyl](4,1-phenylene)[(E)-2,1-ethenediyl][2,5-bis(hexyloxy)-4,1-phenylene][(E)-2,1-ethenediyl]]]bis(benzaldehyde)
4,4′-[2,5-ビス(ヘキシルオキシ)-1,4-フェニレンビス[[(E)-2,1-エテンジイル](4,1-フェニレン)[(E)-2,1-エテンジイル][2,5-ビス(ヘキシルオキシ)-4,1-フェニレン][(E)-2,1-エテンジイル]]]ビス(ベンズアルデヒド)
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： C92H114O8
Molecular formula furigana： C92-H114-O8
Molecular weight： 1347.916
InChI：
InChI=1S/C92H114O8/c1-7-13-19-25-59-95-87-65-82(54-48-74-33-37-76(38-34-74)50-56-84-68-92(100-64-30-24-18-12-6)86(70-90(84)98-62-28-22-16-10-4)58-52-78-41-45-80(72-94)46-42-78)88(96-60-26-20-14-8-2)66-81(87)53-47-73-31-35-75(36-32-73)49-55-83-67-91(99-63-29-23-17-11-5)85(69-89(83)97-61-27-21-15-9-3)57-51-77-39-43-79(71-93)44-40-77/h31-58,65-72H,7-30,59-64H2,1-6H3/b53-47+,54-48+,55-49+,56-50+,57-51+,58-52+
InChI key：
UGOCFCLAZYUBHI-GEPYPYJSSA-N
SMILES：
CCCCCCOc1cc(/C=C/c2ccc(/C=C/c3cc(OCCCCCC)c(/C=C/c4ccc(/C=C/c5cc(OCCCCCC)c(/C=C/c6ccc(C=O)cc6)cc5OCCCCCC)cc4)cc3OCCCCCC)cc2)c(OCCCCCC)cc1/C=C/c1ccc(C=O)cc1
Systematic name (3)：
- 4,4′-[2,5-ビス(ヘキシルオキシ)-1,4-フェニレンビス[[(E)-2,1-エテンジイル](4,1-フェニレン)[(E)-2,1-エテンジイル][2,5-ビス(ヘキシルオキシ)-4,1-フェニレン][(E)-2,1-エテンジイル]]]ビス(ベンズアルデヒド)
- 4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-(4-ホルミルフェニル)エテニル]-2,5-ビス(ヘキシルオキシ)フェニル}エテニル]フェニル}エテニル]-2,5-ビス(ヘキシルオキシ)フェニル}エテニル]フェニル}エテニル]-2,5-ビス(ヘキシルオキシ)フェニル}エテニル]ベンズアルデヒド
- 4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-(4-formylphenyl)ethenyl]-2,5-bis(hexyloxy)phenyl}ethenyl]phenyl}ethenyl]-2,5-bis(hexyloxy)phenyl}ethenyl]phenyl}ethenyl]-2,5-bis(hexyloxy)phenyl}ethenyl]benzaldehyde
- 4,4′-[2,5-Bis(hexyloxy)-1,4-phenylenebis[[(E)-2,1-ethenediyl](4,1-phenylene)[(E)-2,1-ethenediyl][2,5-bis(hexyloxy)-4,1-phenylene][(E)-2,1-ethenediyl]]]bis(benzaldehyde)
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