Chem
J-GLOBAL ID：201707011397434774   Nikkaji number：J3.576.778I

1-(3-Sulfonatopropyl)-2-(2-hydroxy-5-tert-butylstyryl)-3,3-dimethyl-5-fluoro-3H-indole-1-ium

1-(3-スルホナトプロピル)-2-(2-ヒドロキシ-5-tert-ブチルスチリル)-3,3-ジメチル-5-フルオロ-3H-インドール-1-イウム
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： C25H30F[N+]O3[O-]S
Molecular formula furigana： C25-H30-F-N-O4-S
Molecular weight： 459.580
InChI： InChI=1S/C25H30FNO4S/c1-24(2,3)18-8-11-22(28)17(15-18)7-12-23-25(4,5)20-16-19(26)9-10-21(20)27(23)13-6-14-32(29,30)31/h7-12,15-16H,6,13-14H2,1-5H3,(H,29,30,31)
InChI key： RUTBROVCHSHRET-UHFFFAOYSA-N
SMILES： CC(C)(C)c1ccc(O)c(C=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc(F)cc3C2(C)C)c1
Systematic name  (3)：
  • 2-[2-(5-tert-ブチル-2-ヒドロキシフェニル)エテニル]-5-フルオロ-3,3-ジメチル-1-(3-スルホナトプロピル)-3H-インドール-1-イウム
  • 1-(3-スルホナトプロピル)-2-(2-ヒドロキシ-5-tert-ブチルスチリル)-3,3-ジメチル-5-フルオロ-3H-インドール-1-イウム
  • 2-[2-(5-tert-butyl-2-hydroxyphenyl)ethenyl]-5-fluoro-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium
Other name (2)：
  • 2-[2-(5-tert-Butyl-2-hydroxyphenyl)ethenyl]-5-fluoro-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indole-1-ium
  • 1-(3-Sulfonatopropyl)-2-(2-hydroxy-5-tert-butylstyryl)-3,3-dimethyl-5-fluoro-3H-indole-1-ium
Thsaurus map：
Thesaurus Map

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