Chem
J-GLOBAL ID：200907052003824012   Nikkaji number：J1.523.259E

6,11-Dihydro-8,9-[phenanthrene-9,10-diylbis(oxymethylene)]dibenzo[b,f][1,4]dioxocin-2-carboxylic acid 6-(4-nitro-1,3-dioxoisoindoline-2-yl)hexyl 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6-(4-ニトロ-1,3-ジオキソイソインドリン-2-イル)ヘキシル
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： C45H36N[N+]O9[O-]
Molecular formula furigana： C45-H36-N2-O10
Molecular weight： 764.787
InChI： InChI=1S/C45H36N2O10/c48-43-36-14-9-15-37(47(51)52)40(36)44(49)46(43)18-7-1-2-8-19-53-45(50)27-16-17-38-39(22-27)55-24-29-21-31-26-57-42-35-13-6-4-11-33(35)32-10-3-5-12-34(32)41(42)56-25-30(31)20-28(29)23-54-38/h3-6,9-17,20-22H,1-2,7-8,18-19,23-26H2
InChI key： XPJUEKXHZLWIHL-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cccc2C(=O)N(CCCCCCOC(=O)c3ccc4OCc5cc6COc7c(OCc6cc5COc4c3)c3ccccc3c3ccccc73)C(=O)c12
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6-(4-ニトロ-1,3-ジオキソイソインドリン-2-イル)ヘキシル
  • 6-(4-ニトロ-1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)ヘキシル 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
  • 6-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexyl 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 6-(4-nitro-1,3-dioxoisoindoline-2-yl)hexyl ester
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