Chem
J-GLOBAL ID:200907026981735411   Nikkaji number:J1.825.578B

1,1′-(p-Phenylene)bis[1,3-dioxo-2-[1′-[(1,3-dioxo-1-anilino-3-ethoxypropane-2-ide)-2-yl]-4,4′-bipyridinium-1-yl]-3-anilinopropane-2-ide]

1,1′-(p-フェニレン)ビス[1,3-ジオキソ-2-[1′-[(1,3-ジオキソ-1-アニリノ-3-エトキシプロパン-2-イド)-2-イル]-4,4′-ビピリジニウム-1-イル]-3-アニリノプロパン-2-イド]
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: C62[C-]4H54N4[N+]4O10
Molecular formula furigana: C66-H54-N8-O10
Molecular weight: 1119.204
InChI: InChI=1S/C66H54N8O10/c1-3-83-65(81)57(63(79)69-53-21-13-7-14-22-53)73-41-33-47(34-42-73)45-29-37-71(38-30-45)55(61(77)67-51-17-9-5-10-18-51)59(75)49-25-27-50(28-26-49)60(76)56(62(78)68-52-19-11-6-12-20-52)72-39-31-46(32-40-72)48-35-43-74(44-36-48)58(66(82)84-4-2)64(80)70-54-23-15-8-16-24-54/h5-44H,3-4H2,1-2H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)
InChI key: NAERSYYKYQDOQU-UHFFFAOYSA-N
SMILES: CCOC(=O)[C-](C(=O)Nc1ccccc1)[n+]1ccc(cc1)c1cc[n+](cc1)[C-](C(=O)Nc1ccccc1)C(=O)c1ccc(cc1)C(=O)[C-](C(=O)Nc1ccccc1)[n+]1ccc(cc1)c1cc[n+](cc1)[C-](C(=O)Nc1ccccc1)C(=O)OCC
Systematic name  (3):
  • 1,1′-(p-フェニレン)ビス[1,3-ジオキソ-2-[1′-[(1,3-ジオキソ-1-アニリノ-3-エトキシプロパン-2-イド)-2-イル]-4,4′-ビピリジニウム-1-イル]-3-アニリノプロパン-2-イド]
  • 2-エトキシ-1-(1'-{2-[4-(2-{1'-[2-エトキシ-2-オキソ-1-(フェニルカルバモイル)エタン-1-イド-1-イル]-[4,4'-ビピリジン]-1,1'-ジイウム-1-イル}-2-(フェニルカルバモイル)エタン-2-イドイル)フェニル]-2-オキソ-1-(フェニルカルバモイル)エタン-1-イド-1-イル}-[4,4'-ビピリジン]-1,1'-ジイウム-1-イル)-2-オキソ-1-(フェニルカルバモイル)エタニド
  • 2-ethoxy-1-(1'-{2-[4-(2-{1'-[2-ethoxy-2-oxo-1-(phenylcarbamoyl)ethan-1-id-1-yl]-[4,4'-bipyridine]-1,1'-diium-1-yl}-2-(phenylcarbamoyl)ethan-2-idoyl)phenyl]-2-oxo-1-(phenylcarbamoyl)ethan-1-id-1-yl}-[4,4'-bipyridine]-1,1'-diium-1-yl)-2-oxo-1-(phenylcarbamoyl)ethanide
Other name (1):
  • 1,1′-(p-Phenylene)bis[1,3-dioxo-2-[1′-[(1,3-dioxo-1-anilino-3-ethoxypropane-2-ide)-2-yl]-4,4′-bipyridinium-1-yl]-3-anilinopropane-2-ide]
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