Chem
J-GLOBAL ID：200907040640745772   Nikkaji number：J1.491.196K

1,4,6,8,9,10,11,13-Octapropylpentacene-2,3-dicarboxylic acid dimethyl ester

1,4,6,8,9,10,11,13-オクタプロピルペンタセン-2,3-ジカルボン酸ジメチル
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： C50H66O4
Molecular formula furigana： C50-H66-O4
Molecular weight： 731.074
InChI： InChI=1S/C50H66O4/c1-11-19-31-32(20-12-2)34(22-14-4)40-28-42-36(24-16-6)44-30-46-38(26-18-8)48(50(52)54-10)47(49(51)53-9)37(25-17-7)45(46)29-43(44)35(23-15-5)41(42)27-39(40)33(31)21-13-3/h27-30H,11-26H2,1-10H3
InChI key： UPOBILZBGZQFDR-UHFFFAOYSA-N
SMILES： CCCc1c(CCC)c(CCC)c2cc3c(CCC)c4cc5c(CCC)c(C(=O)OC)c(C(=O)OC)c(CCC)c5cc4c(CCC)c3cc2c1CCC
Systematic name  (3)：
  • 1,4,6,8,9,10,11,13-オクタプロピルペンタセン-2,3-ジカルボン酸ジメチル
  • 2,3-ジメチル 1,4,6,8,9,10,11,13-オクタプロピルペンタセン-2,3-ジカルボキシラート
  • 2,3-dimethyl 1,4,6,8,9,10,11,13-octapropylpentacene-2,3-dicarboxylate
Other name (1)：
  • 1,4,6,8,9,10,11,13-Octapropylpentacene-2,3-dicarboxylic acid dimethyl ester
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