Chem
J-GLOBAL ID：200907009071809282   Nikkaji number：J701.938F

1,4,7-Triaza-1H-phenalene-2,3,5,6,8,9-hexacarboxylic acid hexaethyl ester

1,4,7-トリアザ-1H-フェナレン-2,3,5,6,8,9-ヘキサカルボン酸ヘキサエチル
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： C28H31N3O12
Molecular formula furigana： C28-H31-N3-O12
Molecular weight： 601.565
InChI： InChI=1S/C28H31N3O12/c1-7-38-23(32)14-17-13-18(30-20(14)26(35)41-10-4)15(24(33)39-8-2)22(28(37)43-12-6)31-19(13)16(25(34)40-9-3)21(29-17)27(36)42-11-5/h29H,7-12H2,1-6H3
InChI key： LIEARAUNTQRUHS-UHFFFAOYSA-N
SMILES： CCOC(=O)c1nc2c(C(=O)OCC)c([nH]c3c(C(=O)OCC)c(nc(c1C(=O)OCC)c23)C(=O)OCC)C(=O)OCC
Systematic name  (3)：
  • 1,4,7-トリアザ-1H-フェナレン-2,3,5,6,8,9-ヘキサカルボン酸ヘキサエチル
  • 3,4,7,8,11,12-ヘキサエチル 2,6,10-トリアザトリシクロ[7.3.1.05,13]トリデカ-1,3,5(13),6,8,11-ヘキサエン-3,4,7,8,11,12-ヘキサカルボキシラート
  • 3,4,7,8,11,12-hexaethyl 2,6,10-triazatricyclo[7.3.1.05,13]trideca-1,3,5(13),6,8,11-hexaene-3,4,7,8,11,12-hexacarboxylate
Other name (1)：
  • 1,4,7-Triaza-1H-phenalene-2,3,5,6,8,9-hexacarboxylic acid hexaethyl ester
Thsaurus map：
Thesaurus Map

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