Chem
J-GLOBAL ID：200907080398549744   Nikkaji number：J704.202G

1,4,7,8,10,10a-Hexaaza-4H-cyclopenta[a]phenalene-2,3,5,6-tetracarboxylic acid tetraethyl ester

1,4,7,8,10,10a-ヘキサアザ-4H-シクロペンタ[a]フェナレン-2,3,5,6-テトラカルボン酸テトラエチル
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： C22H22N6O8
Molecular formula furigana： C22-H22-N6-O8
Molecular weight： 498.452
InChI： InChI=1S/C22H22N6O8/c1-5-33-18(29)11-13-10-14(12(19(30)34-6-2)15(25-13)20(31)35-7-3)27-22-23-9-24-28(22)17(10)26-16(11)21(32)36-8-4/h9,25H,5-8H2,1-4H3
InChI key： UQZSFIKVHSAABR-UHFFFAOYSA-N
SMILES： CCOC(=O)c1nc2c3c(nc4ncnn24)c(C(=O)OCC)c([nH]c3c1C(=O)OCC)C(=O)OCC
Systematic name  (3)：
  • 1,4,7,8,10,10a-ヘキサアザ-4H-シクロペンタ[a]フェナレン-2,3,5,6-テトラカルボン酸テトラエチル
  • 2,3,6,7-テトラエチル 4,8,10,11,13,15-ヘキサアザテトラシクロ[7.6.1.05,16.010,14]ヘキサデカ-1(15),2,5(16),6,8,11,13-ヘプタエン-2,3,6,7-テトラカルボキシラート
  • 2,3,6,7-tetraethyl 4,8,10,11,13,15-hexaazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,11,13-heptaene-2,3,6,7-tetracarboxylate
Other name (1)：
  • 1,4,7,8,10,10a-Hexaaza-4H-cyclopenta[a]phenalene-2,3,5,6-tetracarboxylic acid tetraethyl ester
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