Chem
J-GLOBAL ID：200907034061218841   Nikkaji number：J2.106.764D

1,3-[Oxybis[ethyleneoxyethyleneoxy[(S)-1-phenylethane-1,2-diyl]oxymethylene]]-2-(3,5-dinitrobenzoyloxy)-5-bromobenzene

1,3-[オキシビス[エチレンオキシエチレンオキシ[(S)-1-フェニルエタン-1,2-ジイル]オキシメチレン]]-2-(3,5-ジニトロベンゾイルオキシ)-5-ブロモベンゼン
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： C39H41Br[N+]2O11[O-]2
Molecular formula furigana： C39-H41-BR-N2-O13
Molecular weight： 825.662
InChI： InChI=1S/C39H41BrN2O13/c40-33-19-31-24-51-26-36(28-7-3-1-4-8-28)53-17-15-49-13-11-48-12-14-50-16-18-54-37(29-9-5-2-6-10-29)27-52-25-32(20-33)38(31)55-39(43)30-21-34(41(44)45)23-35(22-30)42(46)47/h1-10,19-23,36-37H,11-18,24-27H2/t36-,37?/m1/s1
InChI key： LYPVBBZHBBDTFS-RKROREJRSA-N
SMILES： [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Oc1c2COC[C@@H](OCCOCCOCCOCCOC(COCc1cc(Br)c2)c1ccccc1)c1ccccc1
Systematic name  (4)：
  • 5α,19β-ジフェニル-25-ブロモ-27-(3,5-ジニトロベンゾイルオキシ)-3,6,9,12,15,18,21-ヘプタオキサビシクロ[21.3.1]ヘプタコサン-1(26),23(27),24-トリエン
  • 1,3-[オキシビス[エチレンオキシエチレンオキシ[(S)-1-フェニルエタン-1,2-ジイル]オキシメチレン]]-2-(3,5-ジニトロベンゾイルオキシ)-5-ブロモベンゼン
  • (5S,19S)-25-ブロモ-5,19-ジフェニル-3,6,9,12,15,18,21-ヘプタオキサビシクロ[21.3.1]ヘプタコサ-1(27),23,25-トリエン-27-イル 3,5-ジニトロベンゾアート
  • (5S,19S)-25-bromo-5,19-diphenyl-3,6,9,12,15,18,21-heptaoxabicyclo[21.3.1]heptacosa-1(27),23,25-trien-27-yl 3,5-dinitrobenzoate
Other name (2)：
  • 5α,19β-Diphenyl-25-bromo-27-(3,5-dinitrobenzoyloxy)-3,6,9,12,15,18,21-heptaoxabicyclo[21.3.1]heptacosane-1(26),23(27),24-triene
  • 1,3-[Oxybis[ethyleneoxyethyleneoxy[(S)-1-phenylethane-1,2-diyl]oxymethylene]]-2-(3,5-dinitrobenzoyloxy)-5-bromobenzene
Thsaurus map：
Thesaurus Map

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