Chem
J-GLOBAL ID：200907028425246382   Nikkaji number：J978.224I

Bis[4-(octyloxy)benzoic acid](ethyne-1,2-diyl)bis[4-[2-(4-pentylcyclohexyl)ethyl]-2,1-phenylene] ester

ビス[4-(オクチルオキシ)安息香酸](エチン-1,2-ジイル)ビス[4-[2-(4-ペンチルシクロヘキシル)エチル]-2,1-フェニレン]
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： C70H98O6
Molecular formula furigana： C70-H98-O6
Molecular weight： 1035.548
InChI： InChI=1S/C70H98O6/c1-5-9-13-15-17-21-51-73-65-45-41-61(42-46-65)69(71)75-67-49-37-59(35-33-57-29-25-55(26-30-57)23-19-11-7-3)53-63(67)39-40-64-54-60(36-34-58-31-27-56(28-32-58)24-20-12-8-4)38-50-68(64)76-70(72)62-43-47-66(48-44-62)74-52-22-18-16-14-10-6-2/h37-38,41-50,53-58H,5-36,51-52H2,1-4H3
InChI key： JMQRFJIUPJHUSY-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(CCC2CCC(CCCCC)CC2)cc1C#Cc1cc(CCC2CCC(CCCCC)CC2)ccc1OC(=O)c1ccc(OCCCCCCCC)cc1
Systematic name  (3)：
  • ビス[4-(オクチルオキシ)安息香酸](エチン-1,2-ジイル)ビス[4-[2-(4-ペンチルシクロヘキシル)エチル]-2,1-フェニレン]
  • 2-(2-{2-[4-(オクチルオキシ)ベンゾイルオキシ]-5-[2-(4-ペンチルシクロヘキシル)エチル]フェニル}エチニル)-4-[2-(4-ペンチルシクロヘキシル)エチル]フェニル 4-(オクチルオキシ)ベンゾアート
  • 2-(2-{2-[4-(octyloxy)benzoyloxy]-5-[2-(4-pentylcyclohexyl)ethyl]phenyl}ethynyl)-4-[2-(4-pentylcyclohexyl)ethyl]phenyl 4-(octyloxy)benzoate
Other name (1)：
  • Bis[4-(octyloxy)benzoic acid](ethyne-1,2-diyl)bis[4-[2-(4-pentylcyclohexyl)ethyl]-2,1-phenylene] ester
Thsaurus map：
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