Chem
J-GLOBAL ID：200907086127220931   Nikkaji number：J1.523.254D

6,11-Dihydro-8,9-[phenanthrene-9,10-diylbis(oxymethylene)]dibenzo[b,f][1,4]dioxocin-2-carboxylic acid 6-(5-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-(5-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/c48-43-37-15-14-32(47(51)52)22-38(37)44(49)46(43)17-7-1-2-8-18-53-45(50)27-13-16-39-40(21-27)55-24-29-20-31-26-57-42-36-12-6-4-10-34(36)33-9-3-5-11-35(33)41(42)56-25-30(31)19-28(29)23-54-39/h3-6,9-16,19-22H,1-2,7-8,17-18,23-26H2
InChI key： LXGXBMIFFNYXQA-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc2C(=O)N(CCCCCCOC(=O)c3ccc4OCc5cc6COc7c(OCc6cc5COc4c3)c3ccccc3c3ccccc73)C(=O)c2c1
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-(5-ニトロ-1,3-ジオキソイソインドリン-2-イル)ヘキシル
  • 6-(5-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-(5-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-(5-nitro-1,3-dioxoisoindoline-2-yl)hexyl ester
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