Chem
J-GLOBAL ID:200907024485938628   Nikkaji number:J2.319.940H

2-Phenyl-3-amino-4,6-bis(2,2,2-trifluoroethoxy)benzo[b]thiophene 1-oxide

2-フェニル-3-アミノ-4,6-ビス(2,2,2-トリフルオロエトキシ)ベンゾ[b]チオフェン1-オキシド
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: C18H13F6NO2[O-][S+]
Molecular formula furigana: C18-H13-F6-N-O3-S
Molecular weight: 437.360
InChI: InChI=1S/C18H13F6NO3S/c19-17(20,21)8-27-11-6-12(28-9-18(22,23)24)14-13(7-11)29(26)16(15(14)25)10-4-2-1-3-5-10/h1-7H,8-9,25H2
InChI key: NDOCIYXONOIYSS-UHFFFAOYSA-N
SMILES: NC1=C([S+]([O-])c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c12)c1ccccc1
Systematic name  (3):
  • 2-フェニル-3-アミノ-4,6-ビス(2,2,2-トリフルオロエトキシ)ベンゾ[b]チオフェン1-オキシド
  • 3-アミノ-2-フェニル-4,6-ビス(2,2,2-トリフルオロエトキシ)-1H-1-ベンゾチオフェン-1-イウム-1-オラート
  • 3-amino-2-phenyl-4,6-bis(2,2,2-trifluoroethoxy)-1H-1-benzothiophen-1-ium-1-olate
Other name (1):
  • 2-Phenyl-3-amino-4,6-bis(2,2,2-trifluoroethoxy)benzo[b]thiophene 1-oxide
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