Chem
J-GLOBAL ID：201007014744612944   Nikkaji number：J2.786.327B

1,3,6,8-Tetrakis[4-(ethoxycarbonyl)phenylethynyl]pyrene

1,3,6,8-テトラキス[4-(エトキシカルボニル)フェニルエチニル]ピレン
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： C60H42O8
Molecular formula furigana： C60-H42-O8
Molecular weight： 890.988
InChI： InChI=1S/C60H42O8/c1-5-65-57(61)43-21-9-39(10-22-43)17-29-47-37-48(30-18-40-11-23-44(24-12-40)58(62)66-6-2)52-35-36-54-50(32-20-42-15-27-46(28-16-42)60(64)68-8-4)38-49(53-34-33-51(47)55(52)56(53)54)31-19-41-13-25-45(26-14-41)59(63)67-7-3/h9-16,21-28,33-38H,5-8H2,1-4H3
InChI key： PSFUVNYBCSNDTG-UHFFFAOYSA-N
SMILES： CCOC(=O)c1ccc(cc1)C#Cc1cc(C#Cc2ccc(cc2)C(=O)OCC)c2ccc3c(cc(C#Cc4ccc(cc4)C(=O)OCC)c4ccc1c2c34)C#Cc1ccc(cc1)C(=O)OCC
Systematic name  (3)：
  • 1,3,6,8-テトラキス[4-(エトキシカルボニル)フェニルエチニル]ピレン
  • エチル 4-{2-[3,6,8-トリス({2-[4-(エトキシカルボニル)フェニル]エチニル})ピレン-1-イル]エチニル}ベンゾアート
  • ethyl 4-{2-[3,6,8-tris({2-[4-(ethoxycarbonyl)phenyl]ethynyl})pyren-1-yl]ethynyl}benzoate
Other name (1)：
  • 1,3,6,8-Tetrakis[4-(ethoxycarbonyl)phenylethynyl]pyrene
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