Chem
J-GLOBAL ID：200907098466394181   Nikkaji number：J2.585.694E

3,3′-[1,10-Decanediylbisoxybis(1,3-phenylene)]-3,3′-[1,10-decanediylbisoxybis(1,3-phenylene)]-3,3′-[1,10-decanediylbisoxybis(1,3-phenylene)]-1,1′-(1,4-phenylene)bis(1-propyne)

3,3′-[1,10-デカンジイルビスオキシビス(1,3-フェニレン)]-3,3′-[1,10-デカンジイルビスオキシビス(1,3-フェニレン)]-3,3′-[1,10-デカンジイルビスオキシビス(1,3-フェニレン)]-1,1′-(1,4-フェニレン)ビス(1-プロピン)
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： C78H88O6
Molecular formula furigana： C78-H88-O6
Molecular weight： 1121.556
InChI： InChI=1S/C78H88O6/c1-2-8-14-20-52-80-72-38-26-32-66(58-72)78-50-48-64-45-43-63(44-46-64)47-49-77(65-31-25-37-71(57-65)79-51-19-13-7-1,67-33-27-39-73(59-67)81-53-21-15-9-3-5-11-17-23-55-83-75-41-29-35-69(78)61-75)68-34-28-40-74(60-68)82-54-22-16-10-4-6-12-18-24-56-84-76-42-30-36-70(78)62-76/h25-46,57-62H,1-24,51-56H2
InChI key： AVNWVEIRDBPTPK-UHFFFAOYSA-N
SMILES： C1CCCCCOc2cccc(c2)C23C#Cc4ccc(cc4)C#CC(c4cccc(OCCCC1)c4)(c1cccc(OCCCCCCCCCCOc4cccc2c4)c1)c1cccc(OCCCCCCCCCCOc2cccc3c2)c1
Systematic name  (3)：
  • 3,3′-[1,10-デカンジイルビスオキシビス(1,3-フェニレン)]-3,3′-[1,10-デカンジイルビスオキシビス(1,3-フェニレン)]-3,3′-[1,10-デカンジイルビスオキシビス(1,3-フェニレン)]-1,1′-(1,4-フェニレン)ビス(1-プロピン)
  • 7,18,30,41,52,63-ヘキサオキサデカシクロ[22.22.22.81,24.12,6.119,23.125,29.142,46.147,51.164,68.275,78]テトラオクタコンタ-2,4,6(82),19,21,23(81),25(72),26,28,42(71),43,45,47,49,51(70),64,66,68,75,77,83-ヘンイコサエン-73,79-ジイン
  • 7,18,30,41,52,63-hexaoxadecacyclo[22.22.22.81,24.12,6.119,23.125,29.142,46.147,51.164,68.275,78]tetraoctaconta-2,4,6(82),19,21,23(81),25(72),26,28,42(71),43,45,47,49,51(70),64,66,68,75,77,83-henicosaen-73,79-diyne
Other name (1)：
  • 3,3′-[1,10-Decanediylbisoxybis(1,3-phenylene)]-3,3′-[1,10-decanediylbisoxybis(1,3-phenylene)]-3,3′-[1,10-decanediylbisoxybis(1,3-phenylene)]-1,1′-(1,4-phenylene)bis(1-propyne)
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