Chem
J-GLOBAL ID:200907088954841116   Nikkaji number:J1.523.256K

6,11-Dihydro-8,9-[phenanthrene-9,10-diylbis(oxymethylene)]dibenzo[b,f][1,4]dioxocin-2-carboxylic acid 4-(4-nitro-1,3-dioxoisoindoline-2-yl)butyl 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4-(4-ニトロ-1,3-ジオキソイソインドリン-2-イル)ブチル
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: C43H32N[N+]O9[O-]
Molecular formula furigana: C43-H32-N2-O10
Molecular weight: 736.733
InChI: InChI=1S/C43H32N2O10/c46-41-34-12-7-13-35(45(49)50)38(34)42(47)44(41)16-5-6-17-51-43(48)25-14-15-36-37(20-25)53-22-27-19-29-24-55-40-33-11-4-2-9-31(33)30-8-1-3-10-32(30)39(40)54-23-28(29)18-26(27)21-52-36/h1-4,7-15,18-20H,5-6,16-17,21-24H2
InChI key: VFSLABFPAFIEEY-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cccc2C(=O)N(CCCCOC(=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4-(4-ニトロ-1,3-ジオキソイソインドリン-2-イル)ブチル
  • 4-(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)ブチル 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
  • 4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl 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 4-(4-nitro-1,3-dioxoisoindoline-2-yl)butyl ester
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