Chem
J-GLOBAL ID：201707002436945936   Nikkaji number：J3.576.779G

6′-tert-Butyl-5-fluoro-1-hydro-3,3-dimethyl-1-(3-sulfonatopropyl)spiro[1H-indole-2(3H),2′-[2H-1]benzopyran]-1-ium

6-tert-ブチル-5'-フルオロ-3',3'-ジメチル-1'-(3-スルホナトプロピル)-1',3'-ジヒドロスピロ[クロメン-2,2'-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/c1-23(2,3)18-7-10-22-17(15-18)11-12-25(31-22)24(4,5)20-16-19(26)8-9-21(20)27(25)13-6-14-32(28,29)30/h7-12,15-16H,6,13-14H2,1-5H3,(H,28,29,30)
InChI key： BRDSIEUYFAPVST-UHFFFAOYSA-N
SMILES： CC(C)(C)c1ccc2OC3(C=Cc2c1)[N+](CCCS(=O)(=O)[O-])c1ccc(F)cc1C3(C)C
Systematic name  (3)：
  • 6′-tert-ブチル-5-フルオロ-1-ヒドロ-3,3-ジメチル-1-(3-スルホナトプロピル)スピロ[1H-インドール-2(3H),2′-[2H-1]ベンゾピラン]-1-イウム
  • 6-tert-ブチル-5'-フルオロ-3',3'-ジメチル-1'-(3-スルホナトプロピル)-1',3'-ジヒドロスピロ[クロメン-2,2'-インドール]-1'-イウム
  • 6-tert-butyl-5'-fluoro-3',3'-dimethyl-1'-(3-sulfonatopropyl)-1',3'-dihydrospiro[chromene-2,2'-indol]-1'-ium
Other name (1)：
  • 6′-tert-Butyl-5-fluoro-1-hydro-3,3-dimethyl-1-(3-sulfonatopropyl)spiro[1H-indole-2(3H),2′-[2H-1]benzopyran]-1-ium
Thsaurus map：
Thesaurus Map

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