Chem
J-GLOBAL ID：200907080297989212   Nikkaji number：J1.523.263C

6,11-Dihydro-8,9-[phenanthrene-9,10-diylbis(oxymethylene)]dibenzo[b,f][1,4]dioxocin-2-carboxylic acid 3-(2,5-dinitrophenoxy)propyl ester

6,11-ジヒドロ-8,9-[フェナントレン-9,10-ジイルビス(オキシメチレン)]ジベンゾ[b,f][1,4]ジオキソシン-2-カルボン酸3-(2,5-ジニトロフェノキシ)プロピル
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： C40H30[N+]2O9[O-]2
Molecular formula furigana： C40-H30-N2-O11
Molecular weight： 714.683
InChI： InChI=1S/C40H30N2O11/c43-40(49-15-5-14-48-36-19-29(41(44)45)11-12-34(36)42(46)47)24-10-13-35-37(18-24)51-21-26-17-28-23-53-39-33-9-4-2-7-31(33)30-6-1-3-8-32(30)38(39)52-22-27(28)16-25(26)20-50-35/h1-4,6-13,16-19H,5,14-15,20-23H2
InChI key： ZNUZKZSMWOTINB-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc(c(OCCCOC(=O)c2ccc3OCc4cc5COc6c(OCc5cc4COc3c2)c2ccccc2c2ccccc62)c1)[N+](=O)[O-]
Systematic name  (3)：
  • 6,11-ジヒドロ-8,9-[フェナントレン-9,10-ジイルビス(オキシメチレン)]ジベンゾ[b,f][1,4]ジオキソシン-2-カルボン酸3-(2,5-ジニトロフェノキシ)プロピル
  • 3-(2,5-ジニトロフェノキシ)プロピル 3,18,24,31-テトラオキサヘプタシクロ[18.14.0.04,17.05,10.011,16.022,33.025,30]テトラトリアコンタ-1(20),4(17),5,7,9,11,13,15,21,25,27,29,33-トリデカエン-27-カルボキシラート
  • 3-(2,5-dinitrophenoxy)propyl 3,18,24,31-tetraoxaheptacyclo[18.14.0.04,17.05,10.011,16.022,33.025,30]tetratriaconta-1(20),4(17),5,7,9,11,13,15,21,25,27,29,33-tridecaene-27-carboxylate
Other name (1)：
  • 6,11-Dihydro-8,9-[phenanthrene-9,10-diylbis(oxymethylene)]dibenzo[b,f][1,4]dioxocin-2-carboxylic acid 3-(2,5-dinitrophenoxy)propyl ester
Thsaurus map：
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