Chem
J-GLOBAL ID：200907047951205300   Nikkaji number：J1.404.453A

1,8-[Thiobismethylenebis(3,1-phenylene)bisethynylene]anthracene

1,8-[チオビスメチレンビス(3,1-フェニレン)ビスエチニレン]アントラセン
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： C32H20S
Molecular formula furigana： C32-H20-S
Molecular weight： 436.570
InChI： InChI=1S/C32H20S/c1-5-23-13-15-27-9-3-11-29-19-30-12-4-10-28(32(30)20-31(27)29)16-14-24-6-2-8-26(18-24)22-33-21-25(7-1)17-23/h1-12,17-20H,21-22H2
InChI key： NAZHJLQYEKHFNF-UHFFFAOYSA-N
SMILES： C1SCc2cccc(c2)C#Cc2cccc3cc4cccc(C#Cc5cccc1c5)c4cc23
Systematic name  (3)：
  • 1,8-[チオビスメチレンビス(3,1-フェニレン)ビスエチニレン]アントラセン
  • 25-チアヘキサシクロ[25.3.1.18,12.119,23.04,9.011,16]トリトリアコンタ-1(31),4(9),5,7,10,12(33),13,15,19,21,23(32),27,29-トリデカエン-2,17-ジイン
  • 25-thiahexacyclo[25.3.1.18,12.119,23.04,9.011,16]tritriaconta-1(31),4(9),5,7,10,12(33),13,15,19,21,23(32),27,29-tridecaen-2,17-diyne
Other name (1)：
  • 1,8-[Thiobismethylenebis(3,1-phenylene)bisethynylene]anthracene
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