Chem
J-GLOBAL ID：200907072418706393   Nikkaji number：J2.076.223C

1,1′-[Ethynylenebis(4,1-phenylene)]bis[1,3,5-triazine-2,4,6(1H,3H,5H)-trione]

1,1′-[エチニレンビス(4,1-フェニレン)]ビス[1,3,5-トリアジン-2,4,6(1H,3H,5H)-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： C20H12N6O6
Molecular formula furigana： C20-H12-N6-O6
Molecular weight： 432.352
InChI： InChI=1S/C20H12N6O6/c27-15-21-17(29)25(18(30)22-15)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)26-19(31)23-16(28)24-20(26)32/h3-10H,(H2,21,22,27,29,30)(H2,23,24,28,31,32)
InChI key： HKINWKDCPCDQGC-UHFFFAOYSA-N
SMILES： O=c1[nH]c(=O)n(c2ccc(cc2)C#Cc2ccc(cc2)n2c(=O)[nH]c(=O)[nH]c2=O)c(=O)[nH]1
Systematic name  (3)：
  • 1,1′-[エチニレンビス(4,1-フェニレン)]ビス[1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオン]
  • 1-(4-{2-[4-(2,4,6-トリオキソ-1,3,5-トリアジナン-1-イル)フェニル]エチニル}フェニル)-1,3,5-トリアジナン-2,4,6-トリオン
  • 1-(4-{2-[4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)phenyl]ethynyl}phenyl)-1,3,5-triazinane-2,4,6-trione
Other name (1)：
  • 1,1′-[Ethynylenebis(4,1-phenylene)]bis[1,3,5-triazine-2,4,6(1H,3H,5H)-trione]
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