Chem
J-GLOBAL ID:200907084567949221   Nikkaji number:J2.389.366E

1,4,6,13-Tetrabutylpentacene-2,3-dicarboxylic acid dimethyl ester

1,4,6,13-テトラブチルペンタセン-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: C42H50O4
Molecular formula furigana: C42-H50-O4
Molecular weight: 618.858
InChI: InChI=1S/C42H50O4/c1-7-11-19-29-33-23-27-17-15-16-18-28(27)24-34(33)30(20-12-8-2)36-26-38-32(22-14-10-4)40(42(44)46-6)39(41(43)45-5)31(21-13-9-3)37(38)25-35(29)36/h15-18,23-26H,7-14,19-22H2,1-6H3
InChI key: ILIOCRVQXNPVAA-UHFFFAOYSA-N
SMILES: CCCCc1c(C(=O)OC)c(C(=O)OC)c(CCCC)c2cc3c(CCCC)c4cc5ccccc5cc4c(CCCC)c3cc12
Systematic name  (3):
  • 1,4,6,13-テトラブチルペンタセン-2,3-ジカルボン酸ジメチル
  • 2,3-ジメチル 1,4,6,13-テトラブチルペンタセン-2,3-ジカルボキシラート
  • 2,3-dimethyl 1,4,6,13-tetrabutylpentacene-2,3-dicarboxylate
Other name (1):
  • 1,4,6,13-Tetrabutylpentacene-2,3-dicarboxylic acid dimethyl ester
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