Chem
J-GLOBAL ID：201807015465044567   Nikkaji number：J3.722.667J

2-[[2,4-Bis(octyloxy)phenyl]ethynyl]dibenzothiophene

2-[[2,4-ビス(オクチルオキシ)フェニル]エチニル]ジベンゾチオフェン
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： C36H44O2S
Molecular formula furigana： C36-H44-O2-S
Molecular weight： 540.810
InChI： InChI=1S/C36H44O2S/c1-3-5-7-9-11-15-25-37-31-23-22-30(34(28-31)38-26-16-12-10-8-6-4-2)21-19-29-20-24-36-33(27-29)32-17-13-14-18-35(32)39-36/h13-14,17-18,20,22-24,27-28H,3-12,15-16,25-26H2,1-2H3
InChI key： FTOVQTZNWPMEBR-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1ccc(C#Cc2ccc3sc4ccccc4c3c2)c(OCCCCCCCC)c1
Systematic name  (3)：
  • 2-[[2,4-ビス(オクチルオキシ)フェニル]エチニル]ジベンゾチオフェン
  • 4-{2-[2,4-ビス(オクチルオキシ)フェニル]エチニル}-8-チアトリシクロ[7.4.0.02,7]トリデカ-1(9),2(7),3,5,10,12-ヘキサエン
  • 4-{2-[2,4-bis(octyloxy)phenyl]ethynyl}-8-thiatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Other name (1)：
  • 2-[[2,4-Bis(octyloxy)phenyl]ethynyl]dibenzothiophene
Thsaurus map：
Thesaurus Map

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