Chem
J-GLOBAL ID：200907075827978736   Nikkaji number：J640.419G

AGN-191936

4-[2-[3-[(3-メチル-2-ブテニル)チオ]フェニル]-1-プロペニル]安息香酸
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： C21H22O2S
Molecular formula furigana： C21-H22-O2-S
Molecular weight： 338.470
InChI： InChI=1S/C21H22O2S/c1-15(2)11-12-24-20-6-4-5-19(14-20)16(3)13-17-7-9-18(10-8-17)21(22)23/h4-11,13-14H,12H2,1-3H3,(H,22,23)
InChI key： JSYVBPIJRKGIQH-UHFFFAOYSA-N
SMILES： CC(=CCSc1cccc(c1)C(=Cc1ccc(cc1)C(=O)O)C)C
Systematic name  (3)：
  • 4-[2-[3-[(3-メチル-2-ブテニル)チオ]フェニル]-1-プロペニル]安息香酸
  • 4-(2-{3-[(3-メチルブタ-2-エン-1-イル)スルファニル]フェニル}プロパ-1-エン-1-イル)安息香酸
  • 4-(2-{3-[(3-methylbut-2-en-1-yl)sulfanyl]phenyl}prop-1-en-1-yl)benzoic acid
Other name (1)：
  • AGN-191936
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