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
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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:
C42 H50 O4
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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