Chem
J-GLOBAL ID：200907003012565940   Nikkaji number：J2.297.031C

1-[8-[4-(1,2,3,4-Tetrahydro-2,4-diphenyl-3-oxo-1,2,4,5-tetrazine-6-yl)phenoxy]octyl]pyridinium

1-[8-[4-(1,2,3,4-テトラヒドロ-2,4-ジフェニル-3-オキソ-1,2,4,5-テトラジン-6-イル)フェノキシ]オクチル]ピリジニウム
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： C33H36N4[N+]O2
Molecular formula furigana： C33-H36-N5-O2
Molecular weight： 534.683
InChI： InChI=1S/C33H36N5O2/c39-33-37(29-16-8-5-9-17-29)34-32(35-38(33)30-18-10-6-11-19-30)28-20-22-31(23-21-28)40-27-15-4-2-1-3-12-24-36-25-13-7-14-26-36/h5-11,13-14,16-23,25-26H,1-4,12,15,24,27H2,(H,34,35)/q+1
InChI key： MRFFCGMOJCIWMR-UHFFFAOYSA-N
SMILES： O=c1n([nH]c(nn1c1ccccc1)c1ccc(OCCCCCCCC[n+]2ccccc2)cc1)c1ccccc1
Systematic name  (4)：
  • 1-[8-[4-(1,2,3,4-テトラヒドロ-2,4-ジフェニル-3-オキソ-1,2,4,5-テトラジン-6-イル)フェノキシ]オクチル]ピリジニウム
  • 1-[8-[4-(1,5-ジフェニル-6-オキソ-1,2,5,6-テトラヒドロ-1,2,4,5-テトラジン-3-イル)フェノキシ]オクチル]ピリジニウム
  • 1-{8-[4-(6-オキソ-1,5-ジフェニル-1,2,5,6-テトラヒドロ-1,2,4,5-テトラジン-3-イル)フェノキシ]オクチル}ピリジン-1-イウム
  • 1-{8-[4-(6-oxo-1,5-diphenyl-1,2,5,6-tetrahydro-1,2,4,5-tetrazin-3-yl)phenoxy]octyl}pyridin-1-ium
Other name (2)：
  • 1-[8-[4-(1,2,3,4-Tetrahydro-2,4-diphenyl-3-oxo-1,2,4,5-tetrazine-6-yl)phenoxy]octyl]pyridinium
  • 1-[8-[4-(1,5-Diphenyl-6-oxo-1,2,5,6-tetrahydro-1,2,4,5-tetrazine-3-yl)phenoxy]octyl]pyridinium
Thsaurus map：
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