Chem
J-GLOBAL ID:200907049580415155   Nikkaji number:J249.225C

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

3,3′-[2-[(2-クロロエチル)オキシ]-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-[4-(1-クロロエチル)フェニル]-5-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: C46H41Cl5N8O7
Molecular formula furigana: C46-H41-CL5-N8-O7
Molecular weight: 995.130
InChI: InChI=1S/C46H41Cl5N8O7/c1-24(48)28-5-9-34(10-6-28)52-43(62)30-17-32(50)21-37(19-30)56-58-41(26(3)60)45(64)54-36-13-14-39(40(23-36)66-16-15-47)55-46(65)42(27(4)61)59-57-38-20-31(18-33(51)22-38)44(63)53-35-11-7-29(8-12-35)25(2)49/h5-14,17-25,41-42H,15-16H2,1-4H3,(H,52,62)(H,53,63)(H,54,64)(H,55,65)
InChI key: YXDMCLJQCVINET-UHFFFAOYSA-N
SMILES: CC(Cl)c1ccc(NC(=O)c2cc(Cl)cc(c2)N=NC(C(=O)C)C(=O)Nc2ccc(NC(=O)C(N=Nc3cc(Cl)cc(c3)C(=O)Nc3ccc(cc3)C(C)Cl)C(=O)C)c(OCCCl)c2)cc1
Systematic name  (3):
  • 3,3′-[2-[(2-クロロエチル)オキシ]-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-[4-(1-クロロエチル)フェニル]-5-クロロベンズアミド]
  • 3-クロロ-5-(2-{1-[(4-{2-[2-(3-クロロ-5-{[4-(1-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}-3-(2-クロロエトキシ)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)-N-[4-(1-クロロエチル)フェニル]ベンズアミド
  • 3-chloro-5-(2-{1-[(4-{2-[2-(3-chloro-5-{[4-(1-chloroethyl)phenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}-3-(2-chloroethoxy)phenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-N-[4-(1-chloroethyl)phenyl]benzamide
Other name (1):
  • 3,3′-[2-[(2-Chloroethyl)oxy]-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[4-(1-chloroethyl)phenyl]-5-chlorobenzamide]
Regulation number (1):
  • (3)-3021
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