Chem
J-GLOBAL ID：200907045568895669   Nikkaji number：J1.523.253F

6,11-Dihydro-8,9-[phenanthrene-9,10-diylbis(oxymethylene)]dibenzo[b,f][1,4]dioxocin-2-carboxylic acid 5-(5-nitro-1,3-dioxoisoindoline-2-yl)pentyl 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5-(5-ニトロ-1,3-ジオキソイソインドリン-2-イル)ペンチル
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： C44H34N[N+]O9[O-]
Molecular formula furigana： C44-H34-N2-O10
Molecular weight： 750.760
InChI： InChI=1S/C44H34N2O10/c47-42-36-14-13-31(46(50)51)21-37(36)43(48)45(42)16-6-1-7-17-52-44(49)26-12-15-38-39(20-26)54-23-28-19-30-25-56-41-35-11-5-3-9-33(35)32-8-2-4-10-34(32)40(41)55-24-29(30)18-27(28)22-53-38/h2-5,8-15,18-21H,1,6-7,16-17,22-25H2
InChI key： JVGQROXRPHRJNY-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc2C(=O)N(CCCCCOC(=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5-(5-ニトロ-1,3-ジオキソイソインドリン-2-イル)ペンチル
  • 5-(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)ペンチル 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
  • 5-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentyl 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 5-(5-nitro-1,3-dioxoisoindoline-2-yl)pentyl ester
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