Chem
J-GLOBAL ID：200907018305621435   Nikkaji number：J249.824C

3,3′-[2-(Chloromethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-(2,6-dichlorophenyl)-4-chlorobenzamide]

3,3′-[2-(クロロメチル)-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-(2,6-ジクロロフェニル)-4-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： C41H29Cl7N8O6
Molecular formula furigana： C41-H29-CL7-N8-O6
Molecular weight： 977.880
InChI： InChI=1S/C41H29Cl7N8O6/c1-19(57)34(55-53-32-16-21(9-12-25(32)43)38(59)51-36-27(45)5-3-6-28(36)46)40(61)49-24-11-14-31(23(15-24)18-42)50-41(62)35(20(2)58)56-54-33-17-22(10-13-26(33)44)39(60)52-37-29(47)7-4-8-30(37)48/h3-17,34-35H,18H2,1-2H3,(H,49,61)(H,50,62)(H,51,59)(H,52,60)
InChI key： AAVJRGABHWAXQQ-UHFFFAOYSA-N
SMILES： CC(=O)C(N=Nc1cc(ccc1Cl)C(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1ccc(NC(=O)C(N=Nc2cc(ccc2Cl)C(=O)Nc2c(Cl)cccc2Cl)C(=O)C)c(CCl)c1
Systematic name  (3)：
  • 3,3′-[2-(クロロメチル)-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-(2,6-ジクロロフェニル)-4-クロロベンズアミド]
  • 4-クロロ-3-{2-[1-({4-[2-(2-{2-クロロ-5-[(2,6-ジクロロフェニル)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]-3-(クロロメチル)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}-N-(2,6-ジクロロフェニル)ベンズアミド
  • 4-chloro-3-{2-[1-({4-[2-(2-{2-chloro-5-[(2,6-dichlorophenyl)carbamoyl]phenyl}diazen-1-yl)-3-oxobutanamido]-3-(chloromethyl)phenyl}carbamoyl)-2-oxopropyl]diazen-1-yl}-N-(2,6-dichlorophenyl)benzamide
Other name (1)：
  • 3,3′-[2-(Chloromethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-(2,6-dichlorophenyl)-4-chlorobenzamide]
Regulation number (1)：
  • (3)-3019
Thsaurus map：
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