Chem
J-GLOBAL ID：200907032435647447   Nikkaji number：J1.778.421H

2,3,8,9,14,15-Hexakis(octyloxy)-5,6,11,12,17,18-hexadehydrotribenzo[a,e,i]cyclododecene

2,3,8,9,14,15-ヘキサキス(オクチルオキシ)-5,6,11,12,17,18-ヘキサデヒドロトリベンゾ[a,e,i]シクロドデセン
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： C72H108O6
Molecular formula furigana： C72-H108-O6
Molecular weight： 1069.650
InChI： InChI=1S/C72H108O6/c1-7-13-19-25-31-37-49-73-67-55-61-43-44-63-57-69(75-51-39-33-27-21-15-9-3)71(77-53-41-35-29-23-17-11-5)59-65(63)47-48-66-60-72(78-54-42-36-30-24-18-12-6)70(76-52-40-34-28-22-16-10-4)58-64(66)46-45-62(61)56-68(67)74-50-38-32-26-20-14-8-2/h55-60H,7-42,49-54H2,1-6H3
InChI key： URZMWQAGWWTGFG-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1cc2C#Cc3cc(OCCCCCCCC)c(OCCCCCCCC)cc3C#Cc3cc(OCCCCCCCC)c(OCCCCCCCC)cc3C#Cc2cc1OCCCCCCCC
Systematic name  (5)：
  • 6,7,14,15,22,23-ヘキサキス(オクチルオキシ)テトラシクロ[18.4.0.04,9.012,17]テトラコサン-1(24),4,6,8,12,14,16,20,22-ノナエン-2,10,18-トリイン
  • 2,2′-(エチン-1,2-ジイル)[1,1′-[4,5-ビス(オクチルオキシ)-1,2-フェニレンビス(エチン-1,2-ジイル)]ビス[4,5-ビス(オクチルオキシ)ベンゼン]]
  • 2,3,8,9,14,15-ヘキサキス(オクチルオキシ)-5,6,11,12,17,18-ヘキサデヒドロトリベンゾ[a,e,i]シクロドデセン
  • 6,7,14,15,22,23-ヘキサキス(オクチルオキシ)テトラシクロ[18.4.0.04,9.012,17]テトラコサ-1(20),4,6,8,12,14,16,21,23-ノナエン-2,10,18-トリイン
  • 6,7,14,15,22,23-hexakis(octyloxy)tetracyclo[18.4.0.04,9.012,17]tetracosa-1(20),4,6,8,12,14,16,21,23-nonaen-2,10,18-triyne
Other name (3)：
  • 2,3,8,9,14,15-Hexakis(octyloxy)-5,6,11,12,17,18-hexadehydrotribenzo[a,e,i]cyclododecene
  • 2,2′-(Ethyne-1,2-diyl)[1,1′-[4,5-bis(octyloxy)-1,2-phenylenebis(ethyne-1,2-diyl)]bis[4,5-bis(octyloxy)benzene]]
  • 6,7,14,15,22,23-Hexakis(octyloxy)tetracyclo[18.4.0.04,9.012,17]tetracosane-1(24),4,6,8,12,14,16,20,22-nonaene-2,10,18-triyne
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