Chem
J-GLOBAL ID：200907070787122513   Nikkaji number：J2.242.961B

2,3:6,7-Bis[4-(hexyloxy)-1,2-phenylene(diphenylmethylene)]benzo[1,2-b:4,5-b′]dithiophene

2,3:6,7-ビス[4-(ヘキシルオキシ)-1,2-フェニレン(ジフェニルメチレン)]ベンゾ[1,2-b:4,5-b′]ジチオフェン
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： C60H54O2S2
Molecular formula furigana： C60-H54-O2-S2
Molecular weight： 871.210
InChI： InChI=1S/C60H54O2S2/c1-3-5-7-21-35-61-45-31-33-47-51(37-45)59(41-23-13-9-14-24-41,42-25-15-10-16-26-42)55-49-39-54-50(40-53(49)63-57(47)55)56-58(64-54)48-34-32-46(62-36-22-8-6-4-2)38-52(48)60(56,43-27-17-11-18-28-43)44-29-19-12-20-30-44/h9-20,23-34,37-40H,3-8,21-22,35-36H2,1-2H3
InChI key： IEFPCUXWEPGAJI-UHFFFAOYSA-N
SMILES： CCCCCCOc1ccc2c3sc4cc5c6c(sc5cc4c3C(c2c1)(c1ccccc1)c1ccccc1)c1ccc(OCCCCCC)cc1C6(c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 2,3:6,7-ビス[4-(ヘキシルオキシ)-1,2-フェニレン(ジフェニルメチレン)]ベンゾ[1,2-b:4,5-b′]ジチオフェン
  • 8,21-ビス(ヘキシルオキシ)-5,5,18,18-テトラフェニル-13,26-ジチアヘプタシクロ[14.10.0.03,14.04,12.06,11.017,25.019,24]ヘキサコサ-1,3(14),4(12),6,8,10,15,17(25),19,21,23-ウンデカエン
  • 8,21-bis(hexyloxy)-5,5,18,18-tetraphenyl-13,26-dithiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4(12),6,8,10,15,17(25),19,21,23-undecaene
Other name (1)：
  • 2,3:6,7-Bis[4-(hexyloxy)-1,2-phenylene(diphenylmethylene)]benzo[1,2-b:4,5-b′]dithiophene
Thsaurus map：
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