Chem
J-GLOBAL ID：201607007192257840   Nikkaji number：J3.481.058C

4-[[10-[[4-(Dioctylamino)phenyl]ethynyl]-9-anthracenyl]ethynyl]-2-nitrobenzoic acid

4-[[10-[[4-(ジオクチルアミノ)フェニル]エチニル]-9-アントラセニル]エチニル]-2-ニトロ安息香酸
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： C47H50N[N+]O3[O-]
Molecular formula furigana： C47-H50-N2-O4
Molecular weight： 706.927
InChI： InChI=1S/C47H50N2O4/c1-3-5-7-9-11-17-33-48(34-18-12-10-8-6-4-2)38-28-23-36(24-29-38)25-30-43-39-19-13-15-21-41(39)44(42-22-16-14-20-40(42)43)31-26-37-27-32-45(47(50)51)46(35-37)49(52)53/h13-16,19-24,27-29,32,35H,3-12,17-18,33-34H2,1-2H3,(H,50,51)
InChI key： VXJCGJMRTZEHAB-UHFFFAOYSA-N
SMILES： CCCCCCCCN(CCCCCCCC)c1ccc(cc1)C#Cc1c2ccccc2c(C#Cc2ccc(C(=O)O)c(c2)[N+](=O)[O-])c2ccccc12
Systematic name  (3)：
  • 4-[[10-[[4-(ジオクチルアミノ)フェニル]エチニル]-9-アントラセニル]エチニル]-2-ニトロ安息香酸
  • 4-[2-(10-{2-[4-(ジオクチルアミノ)フェニル]エチニル}アントラセン-9-イル)エチニル]-2-ニトロ安息香酸
  • 4-[2-(10-{2-[4-(dioctylamino)phenyl]ethynyl}anthracen-9-yl)ethynyl]-2-nitrobenzoic acid
Other name (1)：
  • 4-[[10-[[4-(Dioctylamino)phenyl]ethynyl]-9-anthracenyl]ethynyl]-2-nitrobenzoic acid
Thsaurus map：
Thesaurus Map

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