Chem
J-GLOBAL ID：200907036965718120
Nikkaji number：J1.778.552D
9,12-[[(E)-Ethene-1,2-diyl]bis[[2,3,4-tris(3,7-dimethyloctyloxy)chrysene-12,9-diyl][(E)-ethene-1,2-diyl]]]-2,3,4-tris(3,7-dimethyloctyloxy)chrysene
9,12-[[(E)-エテン-1,2-ジイル]ビス[[2,3,4-トリス(3,7-ジメチルオクチルオキシ)クリセン-12,9-ジイル][(E)-エテン-1,2-ジイル]]]-2,3,4-トリス(3,7-ジメチルオクチルオキシ)クリセン
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： C150H216O9
Molecular formula furigana： C150-H216-O9
Molecular weight： 2163.369
InChI：
InChI=1S/C150H216O9/c1-100(2)37-28-46-109(19)73-82-151-139-97-133-124-64-60-120-59-63-123-69-72-129-138(132(123)93-120)96-126(135-99-141(153-84-75-111(21)48-30-39-102(5)6)147(156-87-78-114(24)51-33-42-105(11)12)150(144(129)135)159-90-81-117(27)54-36-45-108(17)18)66-65-125-95-137-128(143-134(125)98-140(152-83-74-110(20)47-29-38-101(3)4)146(155-86-77-113(23)50-32-41-104(9)10)149(143)158-89-80-116(26)53-35-44-107(15)16)71-68-122-62-58-119(92-131(122)137)56-55-118-57-61-121-67-70-127(136(94-124)130(121)91-118)142(133)148(157-88-79-115(25)52-34-43-106(13)14)145(139)154-85-76-112(22)49-31-40-103(7)8/h55-72,91-117H,28-54,73-90H2,1-27H3/b56-55-,64-60-,66-65-,118-55?,119-56?,120-60?,124-64?,125-65?,126-66?
InChI key：
WGXHXNAPBPNOFV-DMUVPVSOSA-N
SMILES：
CC(C)CCCC(C)CCOc1cc2c3=CC=c4ccc5ccc6c(cc(=CC=c7cc8c(ccc9ccc(=CC=c%10ccc%11ccc(c(c3)c%11c%10)c2c(OCCC(C)CCCC(C)C)c1OCCC(C)CCCC(C)C)cc89)c1c7cc(OCCC(C)CCCC(C)C)c(OCCC(C)CCCC(C)C)c1OCCC(C)CCCC(C)C)c1c6c(OCCC(C)CCCC(C)C)c(OCCC(C)CCCC(C)C)c(OCCC(C)CCCC(C)C)c1)c5c4
Systematic name (3)：
- 9,12-[[(E)-エテン-1,2-ジイル]ビス[[2,3,4-トリス(3,7-ジメチルオクチルオキシ)クリセン-12,9-ジイル][(E)-エテン-1,2-ジイル]]]-2,3,4-トリス(3,7-ジメチルオクチルオキシ)クリセン
- 7,8,9,23,24,25,44,45,46-ノナキス[(3,7-ジメチルオクチル)オキシ]トリデカシクロ[34.12.4.211,14.227,30.14,12.113,17.120,28.129,33.05,10.021,26.039,51.042,50.043,48]ヘキサコンタ-1,3,5,7,9,11(59),12(60),13(57),14(58),15,17,19,21,23,25,27(55),28(56),29(53),30(54),31,33,35,37,39,41,43,45,47,49,51-トリアコンタエン
- 7,8,9,23,24,25,44,45,46-nonakis[(3,7-dimethyloctyl)oxy]tridecacyclo[34.12.4.211,14.227,30.14,12.113,17.120,28.129,33.05,10.021,26.039,51.042,50.043,48]hexaconta-1,3,5,7,9,11(59),12(60),13(57),14(58),15,17,19,21,23,25,27(55),28(56),29(53),30(54),31,33,35,37,39,41,43,45,47,49,51-triacontaene
- 9,12-[[(E)-Ethene-1,2-diyl]bis[[2,3,4-tris(3,7-dimethyloctyloxy)chrysene-12,9-diyl][(E)-ethene-1,2-diyl]]]-2,3,4-tris(3,7-dimethyloctyloxy)chrysene
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