Chem
J-GLOBAL ID：200907002532011968   Nikkaji number：J1.634.328E

5-Bromo-2-methyl-3-(4-sulfonatobutyl)benzoxazole-3-ium

4-(5-ブロモ-2-メチル-3-ベンゾオキサゾリオ)ブタンスルホナート
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： C12H14Br[N+]O3[O-]S
Molecular formula furigana： C12-H14-BR-N-O4-S
Molecular weight： 348.210
InChI： InChI=1S/C12H14BrNO4S/c1-9-14(6-2-3-7-19(15,16)17)11-8-10(13)4-5-12(11)18-9/h4-5,8H,2-3,6-7H2,1H3
InChI key： ASGXKMRMAKQEPG-UHFFFAOYSA-N
SMILES： Cc1oc2ccc(Br)cc2[n+]1CCCCS(=O)(=O)[O-]
Systematic name  (3)：
  • 5-ブロモ-2-メチル-3-(4-スルホナトブチル)ベンゾオキサゾール-3-イウム
  • 5-ブロモ-2-メチル-3-(4-スルホナトブチル)-1,3-ベンゾオキサゾール-3-イウム
  • 5-bromo-2-methyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium
Other name (2)：
  • 5-Bromo-2-methyl-3-(4-sulfonatobutyl)benzoxazole-3-ium
  • 4-(5-ブロモ-2-メチル-3-ベンゾオキサゾリオ)ブタンスルホナート
Regulation number (1)：
  • 8-(7)-1137
Thsaurus map：
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