Chem
J-GLOBAL ID：200907084911640120   Nikkaji number：J2.040.170B

2,6-Difluoro-4-[[4-(hexyloxy)phenyl]ethynyl]phenyl isothiocyanate

2,6-ジフルオロ-4-[[4-(ヘキシルオキシ)フェニル]エチニル]フェニルイソチオシアナート
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： C21H19F2NOS
Molecular formula furigana： C21-H19-F2-N-O-S
Molecular weight： 371.450
InChI： InChI=1S/C21H19F2NOS/c1-2-3-4-5-12-25-18-10-8-16(9-11-18)6-7-17-13-19(22)21(24-15-26)20(23)14-17/h8-11,13-14H,2-5,12H2,1H3
InChI key： OGIWBWQAPJCAFA-UHFFFAOYSA-N
SMILES： CCCCCCOc1ccc(cc1)C#Cc1cc(F)c(N=C=S)c(F)c1
Systematic name  (3)：
  • 2,6-ジフルオロ-4-[[4-(ヘキシルオキシ)フェニル]エチニル]フェニルイソチオシアナート
  • 1,3-ジフルオロ-5-{2-[4-(ヘキシルオキシ)フェニル]エチニル}-2-イソチオシアナトベンゼン
  • 1,3-difluoro-5-{2-[4-(hexyloxy)phenyl]ethynyl}-2-isothiocyanatobenzene
Other name (1)：
  • 2,6-Difluoro-4-[[4-(hexyloxy)phenyl]ethynyl]phenyl isothiocyanate
Thsaurus map：
Thesaurus Map

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