Chem
J-GLOBAL ID：201807013843457139   Nikkaji number：J3.722.301H

5-[6-[3,4,5-Tris[[(3S)-3,7-dimethyloctyl]oxy]benzyloxy]-2-naphthylmethylene]-2,4,6(1H,3H,5H)-pyrimidinetrione

5-[6-[3,4,5-トリス[[(3S)-3,7-ジメチルオクチル]オキシ]ベンジルオキシ]-2-ナフチルメチレン]-2,4,6(1H,3H,5H)-ピリミジントリオン
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： C52H76N2O7
Molecular formula furigana： C52-H76-N2-O7
Molecular weight： 841.187
InChI： InChI=1S/C52H76N2O7/c1-35(2)13-10-16-38(7)23-26-58-47-31-42(34-61-45-22-21-43-29-41(19-20-44(43)33-45)30-46-50(55)53-52(57)54-51(46)56)32-48(59-27-24-39(8)17-11-14-36(3)4)49(47)60-28-25-40(9)18-12-15-37(5)6/h19-22,29-33,35-40H,10-18,23-28,34H2,1-9H3,(H2,53,54,55,56,57)/t38-,39-,40-/m0/s1
InChI key： DJJAWQOFEDKCMP-MXVPUGLGSA-N
SMILES： CC(C)CCC[C@H](C)CCOc1cc(COc2ccc3cc(C=C4C(=O)NC(=O)NC4=O)ccc3c2)cc(OCC[C@@H](C)CCCC(C)C)c1OCC[C@@H](C)CCCC(C)C
Systematic name  (3)：
  • 5-[6-[3,4,5-トリス[[(3S)-3,7-ジメチルオクチル]オキシ]ベンジルオキシ]-2-ナフチルメチレン]-2,4,6(1H,3H,5H)-ピリミジントリオン
  • 5-[(6-{[3,4,5-トリス({[(3S)-3,7-ジメチルオクチル]オキシ})フェニル]メトキシ}ナフタレン-2-イル)メチリデン]-1,3-ジアジナン-2,4,6-トリオン
  • 5-[(6-{[3,4,5-tris({[(3S)-3,7-dimethyloctyl]oxy})phenyl]methoxy}naphthalen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Other name (1)：
  • 5-[6-[3,4,5-Tris[[(3S)-3,7-dimethyloctyl]oxy]benzyloxy]-2-naphthylmethylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
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