Chem
J-GLOBAL ID：200907082728068341   Nikkaji number：J2.242.953A

2,6-Bis[4-(hexyloxy)phenyl]-3,7-diethynylbenzo[1,2-b:4,5-b′]dithiophene

2,6-ビス[4-(ヘキシルオキシ)フェニル]-3,7-ジエチニルベンゾ[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： C38H38O2S2
Molecular formula furigana： C38-H38-O2-S2
Molecular weight： 590.840
InChI： InChI=1S/C38H38O2S2/c1-5-9-11-13-23-39-29-19-15-27(16-20-29)37-31(7-3)33-25-36-34(26-35(33)41-37)32(8-4)38(42-36)28-17-21-30(22-18-28)40-24-14-12-10-6-2/h3-4,15-22,25-26H,5-6,9-14,23-24H2,1-2H3
InChI key： WAHONBMMXTYEOG-UHFFFAOYSA-N
SMILES： CCCCCCOc1ccc(cc1)c1sc2cc3c(C#C)c(sc3cc2c1C#C)c1ccc(OCCCCCC)cc1
Systematic name  (3)：
  • 2,6-ビス[4-(ヘキシルオキシ)フェニル]-3,7-ジエチニルベンゾ[1,2-b:4,5-b′]ジチオフェン
  • 6,12-ジエチニル-5,11-ビス[4-(ヘキシルオキシ)フェニル]-4,10-ジチアトリシクロ[7.3.0.03,7]ドデカ-1,3(7),5,8,11-ペンタエン
  • 6,12-diethynyl-5,11-bis[4-(hexyloxy)phenyl]-4,10-dithiatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaene
Other name (1)：
  • 2,6-Bis[4-(hexyloxy)phenyl]-3,7-diethynylbenzo[1,2-b:4,5-b′]dithiophene
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