Chem
J-GLOBAL ID：200907069322103077   Nikkaji number：J1.523.262E

6,11-Dihydro-8,9-[phenanthrene-9,10-diylbis(oxymethylene)]dibenzo[b,f][1,4]dioxocin-2-carboxylic acid 3-(1,3-dioxoisoindoline-2-yl)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-(1,3-ジオキソイソインドリン-2-イル)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： C42H31NO8
Molecular formula furigana： C42-H31-N-O8
Molecular weight： 677.709
InChI： InChI=1S/C42H31NO8/c44-40-34-12-5-6-13-35(34)41(45)43(40)16-7-17-47-42(46)25-14-15-36-37(20-25)49-22-27-19-29-24-51-39-33-11-4-2-9-31(33)30-8-1-3-10-32(30)38(39)50-23-28(29)18-26(27)21-48-36/h1-6,8-15,18-20H,7,16-17,21-24H2
InChI key： WKUKUYASIZNPAG-UHFFFAOYSA-N
SMILES： O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc2OCc3cc4COc5c(OCc4cc3COc2c1)c1ccccc1c1ccccc51
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-(1,3-ジオキソイソインドリン-2-イル)プロピル
  • 3-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)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-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)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-(1,3-dioxoisoindoline-2-yl)propyl ester
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