Chem
J-GLOBAL ID：200907083303481942   Nikkaji number：J2.040.173G

3,5-Difluoro-4′′-(pentyloxy)-1,1′:4′,1′′-terbenzene-4-yl isothiocyanate

3,5-ジフルオロ-4-イソチオシアナト-4'-[4-(ペンチルオキシ)フェニル]-1,1'-ビフェニル
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： C24H21F2NOS
Molecular formula furigana： C24-H21-F2-N-O-S
Molecular weight： 409.490
InChI： InChI=1S/C24H21F2NOS/c1-2-3-4-13-28-21-11-9-18(10-12-21)17-5-7-19(8-6-17)20-14-22(25)24(27-16-29)23(26)15-20/h5-12,14-15H,2-4,13H2,1H3
InChI key： ZMRNJVOYFCYAAQ-UHFFFAOYSA-N
SMILES： CCCCCOc1ccc(cc1)c1ccc(cc1)c1cc(F)c(N=C=S)c(F)c1
Systematic name  (3)：
  • 3,5-ジフルオロ-4′′-(ペンチルオキシ)-1,1′:4′,1′′-テルベンゼン-4-イルイソチオシアナート
  • 3,5-ジフルオロ-4-イソチオシアナト-4'-[4-(ペンチルオキシ)フェニル]-1,1'-ビフェニル
  • 3,5-difluoro-4-isothiocyanato-4'-[4-(pentyloxy)phenyl]-1,1'-biphenyl
Other name (1)：
  • 3,5-Difluoro-4′′-(pentyloxy)-1,1′:4′,1′′-terbenzene-4-yl isothiocyanate
Thsaurus map：
Thesaurus Map

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