Chem
J-GLOBAL ID：200907028976329181   Nikkaji number：J870.168G

BAY-11-7085

BAY-11-7085
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： C13H15NO2S
Molecular formula furigana： C13-H15-N-O2-S
Molecular weight： 249.330
InChI： InChI=1S/C13H15NO2S/c1-13(2,3)11-5-7-12(8-6-11)17(15,16)10-4-9-14/h4-8,10H,1-3H3/b10-4+
InChI key： VHKZGNPOHPFPER-ONNFQVAWSA-N
SMILES： CC(C)(C)c1ccc(cc1)S(=O)(=O)/C=C/C#N
Systematic name  (3)：
  • (E)-3-[(4-tert-ブチルフェニル)スルホニル]プロペンニトリル
  • (2E)-3-(4-tert-ブチルベンゼンスルホニル)プロパ-2-エンニトリル
  • (2E)-3-(4-tert-butylbenzenesulfonyl)prop-2-enenitrile
Other name (5)：
  • (E)-3-[(4-tert-Butylphenyl)sulfonyl]propenenitrile
  • BAY-11-7085
  • BAY-117083
  • Bay 11-7085
  • Bay-11-7085
CAS registry number： 196309-76-9
Thsaurus map：
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