Chem
J-GLOBAL ID：200907048323407218   Nikkaji number：J1.597.330G

1,1′,10,10′-[1-[α-[3-(Methoxycarbonyl)propyl]benzyl]-1,1,2,2-ethanetetryl]-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

1-[α-[3-(メトキシカルボニル)プロピル]ベンジル]-1,9-ジヒドロ[C60]フラーレン
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： C72H16O2
Molecular formula furigana： C72-H16-O2
Molecular weight： 912.918
InChI： InChI=1S/C72H16O2/c1-74-12(73)9-5-8-11(10-6-3-2-4-7-10)72-69-65-59-45-37-29-17-14-13-15-18(17)30-32-28-22(15)24-20-16(13)19-23-21(14)27-31(29)43(45)51-49-35(27)33(23)41-39-25(19)26(20)40-42-34(24)36(28)50-52-44(32)46(38(30)37)60(59)66(69)62(52)64-56(50)54(42)58-48(40)47(39)57-53(41)55(49)63(61(51)65)70(72)67(57)68(58)71(64)72/h2-4,6-7,11,69H,5,8-9H2,1H3
InChI key： SUEUMVGWIHUYDS-UHFFFAOYSA-N
SMILES： COC(=O)CCCC(c1ccccc1)C12C3c4c5c6c3c3c7c1c1c8c2c2c4c4c9c5c5c%10c6c6c3c3c7c7c1c1c%11c8c8c2c4c2c4c9c5c5c9c%10c6c6c3c3c7c1c1c7c%11c8c2c2c4c5c4c9c6c3c1c4c72
Systematic name  (3)：
  • 1,1′,10,10′-[1-[α-[3-(メトキシカルボニル)プロピル]ベンジル]-1,1,2,2-エタンテトライル]-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
  • メチル 5-{ヘントリアコンタシクロ[13.11.33.119,53.02,13.03,29.04,12.05,9.06,30.07,37.08,55.010,57.011,59.014,25.016,24.017,21.018,58.020,51.022,49.023,47.026,46.027,45.028,32.031,36.033,44.034,42.035,39.038,54.040,52.041,50.043,48.056,60]ヘキサコンタ-1(26),2(13),3(29),4(12),5,7(37),8(55),9,11(59),14(25),15,17(21),18,20(51),22(49),23,27,30,32,34(42),35,39,41(50),43(48),44,46,52,56(60),57-ノナコサエン-38-イル}-5-フェニルペンタノアート
  • methyl 5-{hentriacontacyclo[13.11.33.119,53.02,13.03,29.04,12.05,9.06,30.07,37.08,55.010,57.011,59.014,25.016,24.017,21.018,58.020,51.022,49.023,47.026,46.027,45.028,32.031,36.033,44.034,42.035,39.038,54.040,52.041,50.043,48.056,60]hexaconta-1(26),2(13),3(29),4(12),5,7(37),8(55),9,11(59),14(25),15,17(21),18,20(51),22(49),23,27,30,32,34(42),35,39,41(50),43(48),44,46,52,56(60),57-nonacosaen-38-yl}-5-phenylpentanoate
Other name (2)：
  • 1,1′,10,10′-[1-[α-[3-(Methoxycarbonyl)propyl]benzyl]-1,1,2,2-ethanetetryl]-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
  • 1-[α-[3-(メトキシカルボニル)プロピル]ベンジル]-1,9-ジヒドロ[C60]フラーレン
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