Chem
J-GLOBAL ID:200907050920861811   Nikkaji number:J249.590B

3,3′-[2,5-Dichloro-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(2-chloroethyl)phenyl]-2-chlorobenzamide]

3,3′-[2,5-ジクロロ-1,4-フェニレンビス[イミノカルボニル(アセチルメチレン)アゾ]]ビス[N-[3-(2-クロロエチル)フェニル]-2-クロロベンズアミド]
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: C44H36Cl6N8O6
Molecular formula furigana: C44-H36-CL6-N8-O6
Molecular weight: 985.520
InChI: InChI=1S/C44H36Cl6N8O6/c1-23(59)39(57-55-33-13-5-11-29(37(33)49)41(61)51-27-9-3-7-25(19-27)15-17-45)43(63)53-35-21-32(48)36(22-31(35)47)54-44(64)40(24(2)60)58-56-34-14-6-12-30(38(34)50)42(62)52-28-10-4-8-26(20-28)16-18-46/h3-14,19-22,39-40H,15-18H2,1-2H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)
InChI key: MAWVUZRUPWTVTA-UHFFFAOYSA-N
SMILES: CC(=O)C(N=Nc1cccc(C(=O)Nc2cccc(CCCl)c2)c1Cl)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cccc(C(=O)Nc3cccc(CCCl)c3)c2Cl)C(=O)C)cc1Cl
Systematic name  (3):
  • 3,3′-[2,5-ジクロロ-1,4-フェニレンビス[イミノカルボニル(アセチルメチレン)アゾ]]ビス[N-[3-(2-クロロエチル)フェニル]-2-クロロベンズアミド]
  • 2-クロロ-N-[3-(2-クロロエチル)フェニル]-3-(2-{1-[(2,5-ジクロロ-4-{2-[2-(2-クロロ-3-{[3-(2-クロロエチル)フェニル]カルバモイル}フェニル)ジアゼン-1-イル]-3-オキソブタンアミド}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)ベンズアミド
  • 2-chloro-N-[3-(2-chloroethyl)phenyl]-3-(2-{1-[(2,5-dichloro-4-{2-[2-(2-chloro-3-{[3-(2-chloroethyl)phenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}phenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)benzamide
Other name (1):
  • 3,3′-[2,5-Dichloro-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(2-chloroethyl)phenyl]-2-chlorobenzamide]
Regulation number (1):
  • (3)-3016
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