Chem
J-GLOBAL ID:200907017044529696   Nikkaji number:J2.558.547J

3,3′-[Methylenebis[[2-butoxy-5-[3-oxo-3-(3-formylphenoxy)-1-propenyl]-1,3-phenylene]methylene]][1,1′-methylenebis[2-butoxy-5-[3-oxo-3-(3-formylphenoxy)-1-propenyl]benzene]]

3,3′-[メチレンビス[[2-ブトキシ-5-[3-オキソ-3-(3-ホルミルフェノキシ)-1-プロペニル]-1,3-フェニレン]メチレン]][1,1′-メチレンビス[2-ブトキシ-5-[3-オキソ-3-(3-ホルミルフェノキシ)-1-プロペニル]ベンゼン]]
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: C84H80O16
Molecular formula furigana: C84-H80-O16
Molecular weight: 1345.548
InChI: InChI=1S/C84H80O16/c1-5-9-33-93-81-65-37-57(25-29-77(89)97-73-21-13-17-61(45-73)53-85)38-66(81)50-68-40-59(27-31-79(91)99-75-23-15-19-63(47-75)55-87)42-70(83(68)95-35-11-7-3)52-72-44-60(28-32-80(92)100-76-24-16-20-64(48-76)56-88)43-71(84(72)96-36-12-8-4)51-69-41-58(39-67(49-65)82(69)94-34-10-6-2)26-30-78(90)98-74-22-14-18-62(46-74)54-86/h13-32,37-48,53-56H,5-12,33-36,49-52H2,1-4H3
InChI key: ZJBHGESKCPTQQS-UHFFFAOYSA-N
SMILES: CCCCOc1c2Cc3cc(C=CC(=O)Oc4cccc(C=O)c4)cc(Cc4cc(C=CC(=O)Oc5cccc(C=O)c5)cc(Cc5cc(C=CC(=O)Oc6cccc(C=O)c6)cc(Cc1cc(C=CC(=O)Oc1cccc(C=O)c1)c2)c5OCCCC)c4OCCCC)c3OCCCC
Systematic name  (3):
  • 3,3′-[メチレンビス[[2-ブトキシ-5-[3-オキソ-3-(3-ホルミルフェノキシ)-1-プロペニル]-1,3-フェニレン]メチレン]][1,1′-メチレンビス[2-ブトキシ-5-[3-オキソ-3-(3-ホルミルフェノキシ)-1-プロペニル]ベンゼン]]
  • 3-ホルミルフェニル 3-{25,26,27,28-テトラブトキシ-11,17,23-トリス[3-(3-ホルミルフェノキシ)-3-オキソプロパ-1-エン-1-イル]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5-イル}プロパ-2-エノアート
  • 3-formylphenyl 3-{25,26,27,28-tetrabutoxy-11,17,23-tris[3-(3-formylphenoxy)-3-oxoprop-1-en-1-yl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-5-yl}prop-2-enoate
Other name (1):
  • 3,3′-[Methylenebis[[2-butoxy-5-[3-oxo-3-(3-formylphenoxy)-1-propenyl]-1,3-phenylene]methylene]][1,1′-methylenebis[2-butoxy-5-[3-oxo-3-(3-formylphenoxy)-1-propenyl]benzene]]
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