Chem
J-GLOBAL ID：201407029643077033   Nikkaji number：J3.319.020D

Bis[3′-fluoro-4′-(icosyloxy)azobenzene-4-carboxylic acid]4-methyl-1,3-phenylene ester

ビス[3′-フルオロ-4′-(イコシルオキシ)アゾベンゼン-4-カルボン酸]4-メチル-1,3-フェニレン
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： C73H102F2N4O6
Molecular formula furigana： C73-H102-F2-N4-O6
Molecular weight： 1169.638
InChI： InChI=1S/C73H102F2N4O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-54-82-69-52-49-64(56-67(69)74)78-76-62-45-41-60(42-46-62)72(80)84-66-51-40-59(3)71(58-66)85-73(81)61-43-47-63(48-44-61)77-79-65-50-53-70(68(75)57-65)83-55-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h40-53,56-58H,4-39,54-55H2,1-3H3
InChI key： YDEWLLCCMIGBBG-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCCCCCOc1ccc(cc1F)N=Nc1ccc(cc1)C(=O)Oc1ccc(C)c(OC(=O)c2ccc(cc2)N=Nc2ccc(OCCCCCCCCCCCCCCCCCCCC)c(F)c2)c1
Systematic name  (3)：
  • ビス[3′-フルオロ-4′-(イコシルオキシ)アゾベンゼン-4-カルボン酸]4-メチル-1,3-フェニレン
  • 3-(4-{2-[3-フルオロ-4-(イコシルオキシ)フェニル]ジアゼン-1-イル}ベンゾイルオキシ)-4-メチルフェニル 4-{2-[3-フルオロ-4-(イコシルオキシ)フェニル]ジアゼン-1-イル}ベンゾアート
  • 3-(4-{2-[3-fluoro-4-(icosyloxy)phenyl]diazen-1-yl}benzoyloxy)-4-methylphenyl 4-{2-[3-fluoro-4-(icosyloxy)phenyl]diazen-1-yl}benzoate
Other name (1)：
  • Bis[3′-fluoro-4′-(icosyloxy)azobenzene-4-carboxylic acid]4-methyl-1,3-phenylene ester
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