Chem
J-GLOBAL ID：200907035221516018   Nikkaji number：J2.389.365G

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

1,4,6,13-テトラブチル-8,9,10,11-テトラエチルペンタセン-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/c1-11-19-23-35-41-27-39-33(17-7)31(15-5)32(16-6)34(18-8)40(39)28-42(41)36(24-20-12-2)44-30-46-38(26-22-14-4)48(50(52)54-10)47(49(51)53-9)37(25-21-13-3)45(46)29-43(35)44/h27-30H,11-26H2,1-10H3
InChI key： MJMQADFNEVXFNP-UHFFFAOYSA-N
SMILES： CCCCc1c(C(=O)OC)c(C(=O)OC)c(CCCC)c2cc3c(CCCC)c4cc5c(CC)c(CC)c(CC)c(CC)c5cc4c(CCCC)c3cc12
Systematic name  (3)：
  • 1,4,6,13-テトラブチル-8,9,10,11-テトラエチルペンタセン-2,3-ジカルボン酸ジメチル
  • 2,3-ジメチル 1,4,6,13-テトラブチル-8,9,10,11-テトラエチルペンタセン-2,3-ジカルボキシラート
  • 2,3-dimethyl 1,4,6,13-tetrabutyl-8,9,10,11-tetraethylpentacene-2,3-dicarboxylate
Other name (1)：
  • 1,4,6,13-Tetrabutyl-8,9,10,11-tetraethylpentacene-2,3-dicarboxylic acid dimethyl ester
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