Chem
J-GLOBAL ID：200907002071581821   Nikkaji number：J288.370H

4,4′-Bis[[1-(2,3-diethoxyphenylamino)-1,3-dioxobutan-2-yl]azo]-3,3′-dichloro-1,1′-biphenyl

4,4′-ビス[[1-(2,3-ジエトキシフェニルアミノ)-1,3-ジオキソブタン-2-イル]アゾ]-3,3′-ジクロロ-1,1′-ビフェニル
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： C40H42Cl2N6O8
Molecular formula furigana： C40-H42-CL2-N6-O8
Molecular weight： 805.710
InChI： InChI=1S/C40H42Cl2N6O8/c1-7-53-33-15-11-13-31(37(33)55-9-3)43-39(51)35(23(5)49)47-45-29-19-17-25(21-27(29)41)26-18-20-30(28(42)22-26)46-48-36(24(6)50)40(52)44-32-14-12-16-34(54-8-2)38(32)56-10-4/h11-22,35-36H,7-10H2,1-6H3,(H,43,51)(H,44,52)
InChI key： DVTVZOFYSYSZDL-UHFFFAOYSA-N
SMILES： CCOc1cccc(NC(=O)C(N=Nc2ccc(cc2Cl)c2ccc(N=NC(C(=O)C)C(=O)Nc3cccc(OCC)c3OCC)c(Cl)c2)C(=O)C)c1OCC
Systematic name  (3)：
  • 4,4′-ビス[[1-(2,3-ジエトキシフェニルアミノ)-1,3-ジオキソブタン-2-イル]アゾ]-3,3′-ジクロロ-1,1′-ビフェニル
  • 2-{2-[3,3'-ジクロロ-4'-(2-{1-[(2,3-ジエトキシフェニル)カルバモイル]-2-オキソプロピル}ジアゼン-1-イル)-[1,1'-ビフェニル]-4-イル]ジアゼン-1-イル}-N-(2,3-ジエトキシフェニル)-3-オキソブタンアミド
  • 2-{2-[3,3'-dichloro-4'-(2-{1-[(2,3-diethoxyphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(2,3-diethoxyphenyl)-3-oxobutanamide
Other name (1)：
  • 4,4′-Bis[[1-(2,3-diethoxyphenylamino)-1,3-dioxobutan-2-yl]azo]-3,3′-dichloro-1,1′-biphenyl
Regulation number (1)：
  • (4)-816
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