Chem
J-GLOBAL ID:200907071386856863
Nikkaji number:J2.163.324K
4,4′-[2,5-Bis(hexyloxy)-1,4-phenylenebis[[(E)-2,1-ethenediyl](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]]]ビス(ベンズアルデヒド)
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Substance type:
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
Molecular formula:
C52 H54 O4
Molecular formula furigana:
C52-H54-O4
Molecular weight:
743.000
InChI:
InChI=1S/C52H54O4/c1-3-5-7-9-35-55-51-37-50(34-32-46-21-17-42(18-22-46)12-14-44-25-29-48(40-54)30-26-44)52(56-36-10-8-6-4-2)38-49(51)33-31-45-19-15-41(16-20-45)11-13-43-23-27-47(39-53)28-24-43/h11-34,37-40H,3-10,35-36H2,1-2H3/b13-11+,14-12+,33-31+,34-32+
InChI key:
ZSJWOEOWUAYAOH-YKLAFHMASA-N
SMILES:
CCCCCCOc1cc(/C=C/c2ccc(/C=C/c3ccc(C=O)cc3)cc2)c(OCCCCCC)cc1/C=C/c1ccc(/C=C/c2ccc(C=O)cc2)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]]]ビス(ベンズアルデヒド)
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]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]ベンズアルデヒド
4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-(4-formylphenyl)ethenyl]phenyl}ethenyl]-2,5-bis(hexyloxy)phenyl}ethenyl]phenyl}ethenyl]benzaldehyde
Other name (1):
4,4′-[2,5-Bis(hexyloxy)-1,4-phenylenebis[[(E)-2,1-ethenediyl](4,1-phenylene)[(E)-2,1-ethenediyl]]]bis(benzaldehyde)
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