Chem
J-GLOBAL ID：200907068876415538
Nikkaji number：J1.753.622B
5,5′-[1,3-Butadiyne-1,4-diylbis[(5-methyl-1,3-phenylene)(ethyne-1,2-diyl)[2-hydroxy-5-(hexyloxy)-1,4-phenylene](ethyne-1,2-diyl)(5-methyl-1,3-phenylene)(ethyne-1,2-diyl)]][2,2′-(1,3-butadiyne-1,4-diyl)bis[(5-methyl-1,3-phenylene)(ethyne-1,2-diyl)]bis[4-(hexyloxy)phenol]]
2,2′-[5-メチル-m-フェニレンビス(エチン-1,2-ジイル)ビス[5-ヒドロキシ-2-(ヘキシルオキシ)-p-フェニレン]ビス(エチン-1,2-ジイル)ビス(5-メチル-m-フェニレン)ビス(1,3-ブタンジイン-1,4-ジイル)ビス(5-メチル-m-フェニレン)ビス(エチン-1,2-ジイル)][5,5′-[5-メチル-m-フェニレンビス(エチン-1,2-ジイル)]ビス[4-(ヘキシルオキシ)フェノール]]
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
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
Molecular formula： C114H100O8
Molecular formula furigana： C114-H100-O8
Molecular weight： 1598.046
InChI：
InChI=1S/C114H100O8/c1-11-15-19-27-51-119-111-77-99-43-35-91-59-81(5)55-87(67-91)31-23-24-32-88-56-82(6)60-92(68-88)37-45-101-79-113(121-53-29-21-17-13-3)105(75-109(101)117)49-41-97-65-86(10)66-98(72-97)42-50-106-76-110(118)102(80-114(106)122-54-30-22-18-14-4)46-38-94-62-84(8)58-90(70-94)34-26-25-33-89-57-83(7)61-93(69-89)36-44-100-78-112(120-52-28-20-16-12-2)104(74-108(100)116)48-40-96-64-85(9)63-95(71-96)39-47-103(111)73-107(99)115/h55-80,115-118H,11-22,27-30,51-54H2,1-10H3
InChI key：
HEEMVRDQEUMMLD-UHFFFAOYSA-N
SMILES：
CCCCCCOc1cc2C#Cc3cc(C)cc(c3)C#CC#Cc3cc(C)cc(c3)C#Cc3cc(OCCCCCC)c(cc3O)C#Cc3cc(C)cc(c3)C#Cc3cc(O)c(cc3OCCCCCC)C#Cc3cc(C)cc(c3)C#CC#Cc3cc(C)cc(c3)C#Cc3cc(OCCCCCC)c(cc3O)C#Cc3cc(C)cc(c3)C#Cc1cc2O
Systematic name (4)：
- 5,5′-[1,3-ブタジイン-1,4-ジイルビス[(5-メチル-1,3-フェニレン)(エチン-1,2-ジイル)[2-ヒドロキシ-5-(ヘキシルオキシ)-1,4-フェニレン](エチン-1,2-ジイル)(5-メチル-1,3-フェニレン)(エチン-1,2-ジイル)]][2,2′-(1,3-ブタジイン-1,4-ジイル)ビス[(5-メチル-1,3-フェニレン)(エチン-1,2-ジイル)]ビス[4-(ヘキシルオキシ)フェノール]]
- 2,2′-[5-メチル-m-フェニレンビス(エチン-1,2-ジイル)ビス[5-ヒドロキシ-2-(ヘキシルオキシ)-p-フェニレン]ビス(エチン-1,2-ジイル)ビス(5-メチル-m-フェニレン)ビス(1,3-ブタンジイン-1,4-ジイル)ビス(5-メチル-m-フェニレン)ビス(エチン-1,2-ジイル)][5,5′-[5-メチル-m-フェニレンビス(エチン-1,2-ジイル)]ビス[4-(ヘキシルオキシ)フェノール]]
- 71,76,78,83-テトラキス(ヘキシルオキシ)-6,19,28,41,54,63-ヘキサメチルウンデカシクロ[66.2.2.211,14.233,36.246,49.14,8.117,21.126,30.139,43.152,56.161,65]テトラオクタコンタ-1(71),4,6,8(84),11,13,17,19,21(81),26,28,30(80),33(79),34,36(78),39,41,43(77),46,48,52,54,56(74),61,63,65(73),68(72),69,75,82-トリアコンタエン-2,9,15,22,24,31,37,44,50,57,59,66-ドデカイン-13,34,48,69-テトラオール
- 71,76,78,83-tetrakis(hexyloxy)-6,19,28,41,54,63-hexamethylundecacyclo[66.2.2.211,14.233,36.246,49.14,8.117,21.126,30.139,43.152,56.161,65]tetraoctaconta-1(71),4,6,8(84),11,13,17,19,21(81),26,28,30(80),33(79),34,36(78),39,41,43(77),46,48,52,54,56(74),61,63,65(73),68(72),69,75,82-triacontaen-2,9,15,22,24,31,37,44,50,57,59,66-dodecayne-13,34,48,69-tetrol
- 5,5′-[1,3-Butadiyne-1,4-diylbis[(5-methyl-1,3-phenylene)(ethyne-1,2-diyl)[2-hydroxy-5-(hexyloxy)-1,4-phenylene](ethyne-1,2-diyl)(5-methyl-1,3-phenylene)(ethyne-1,2-diyl)]][2,2′-(1,3-butadiyne-1,4-diyl)bis[(5-methyl-1,3-phenylene)(ethyne-1,2-diyl)]bis[4-(hexyloxy)phenol]]
- 2,2′-[5-Methyl-m-phenylenebis(ethyne-1,2-diyl)bis[5-hydroxy-2-(hexyloxy)-p-phenylene]bis(ethyne-1,2-diyl)bis(5-methyl-m-phenylene)bis(1,3-butanediyne-1,4-diyl)bis(5-methyl-m-phenylene)bis(ethyne-1,2-diyl)][5,5′-[5-methyl-m-phenylenebis(ethyne-1,2-diyl)]bis[4-(hexyloxy)phenol]]
Return to Previous Page
