Chem
J-GLOBAL ID：200907074958474460   Nikkaji number：J1.846.615E

7-(Chloromethyl)-10-(2,2,2-trifluoroethoxy)-7,10-dihydro-1,1′,10,10′-(1,1,2,2-ethenetetryl)-1′′,6′,7′,10′′-(1,1,2,2-ethenetetryl)-6,6′′,7,7′′-(1,1,2,2-ethenetetryl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexyl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene

7-(クロロメチル)-10-(2,2,2-トリフルオロエトキシ)-7,10-ジヒドロ-1,1′,10,10′-(1,1,2,2-エテンテトライル)-1′′,6′,7′,10′′-(1,1,2,2-エテンテトライル)-6,6′′,7,7′′-(1,1,2,2-エテンテトライル)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-5,5′′:8,8′′:8′,9′′:9,9′-テトラキスシクロ-2,2′:5′,2′′-テルフルオランテン
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： C63H4ClF3O
Molecular formula furigana： C63-H4-CL-F3-O
Molecular weight： 869.170
InChI： InChI=1S/C63H4ClF3O/c64-1-61-55-47-38-31-18-11-5-6-8-4-3-7(5)16(18)22-20-9(3)13-10(4)21-23-17(8)19-12(6)15-14(11)25-33-26(15)35-32(19)39-37(23)41-28(21)30-24(13)29-27(20)40(36(22)38)51(55)53-42(29)43(30)54-52(41)56-48(39)45(35)50-46(33)49(44(47)34(25)31)57(61)59(50)63(56,60(54)58(53)61)68-2-62(65,66)67/h1-2H2
InChI key： SFOISDOLXBHANL-UHFFFAOYSA-N
SMILES： FC(F)(F)COC12c3c4c5c6c7c8c9c%10c(c1c1c%10c%10c%11c9c9c8c8c6c6c%12c5c5c3c3c2c2c1c1c%13c2c2c3c3c5c%12c5c%12c6c8c6c9c8c%11c(c%101)c1c%13c9c2c3c5c2c9c1c8c6c%122)C47CCl
Systematic name  (3)：
  • 7-(クロロメチル)-10-(2,2,2-トリフルオロエトキシ)-7,10-ジヒドロ-1,1′,10,10′-(1,1,2,2-エテンテトライル)-1′′,6′,7′,10′′-(1,1,2,2-エテンテトライル)-6,6′′,7,7′′-(1,1,2,2-エテンテトライル)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-5,5′′:8,8′′:8′,9′′:9,9′-テトラキスシクロ-2,2′:5′,2′′-テルフルオランテン
  • 45-(クロロメチル)-51-(2,2,2-トリフルオロエトキシ)ヘントリアコンタシクロ[7.6.44.12,6.03,17.04,20.05,22.07,12.08,23.010,39.011,37.014,36.015,34.016,32.018,30.019,28.021,26.024,59.025,56.027,55.029,53.031,51.033,50.035,48.038,47.040,58.041,46.042,57.043,54.044,52.045,49.013,60]ヘキサコンタ-1(16),2(60),3,5,7,9(59),10,12,14,17,19(28),20,22,24,26,29,31,33,35,37,39,41(46),42,44(52),47,49,53,55,57-ノナコサエン
  • 45-(chloromethyl)-51-(2,2,2-trifluoroethoxy)hentriacontacyclo[7.6.44.12,6.03,17.04,20.05,22.07,12.08,23.010,39.011,37.014,36.015,34.016,32.018,30.019,28.021,26.024,59.025,56.027,55.029,53.031,51.033,50.035,48.038,47.040,58.041,46.042,57.043,54.044,52.045,49.013,60]hexaconta-1(16),2(60),3,5,7,9(59),10,12,14,17,19(28),20,22,24,26,29,31,33,35,37,39,41(46),42,44(52),47,49,53,55,57-nonacosaene
Other name (1)：
  • 7-(Chloromethyl)-10-(2,2,2-trifluoroethoxy)-7,10-dihydro-1,1′,10,10′-(1,1,2,2-ethenetetryl)-1′′,6′,7′,10′′-(1,1,2,2-ethenetetryl)-6,6′′,7,7′′-(1,1,2,2-ethenetetryl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexyl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene
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