Chem
J-GLOBAL ID：200907002431788384   Nikkaji number：J606.559G

SR-3986

4-[(E)-2-[4-[(3-メチルブチル)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： C21H24O2S
Molecular formula furigana： C21-H24-O2-S
Molecular weight： 340.480
InChI： InChI=1S/C21H24O2S/c1-15(2)12-13-24-20-10-8-18(9-11-20)16(3)14-17-4-6-19(7-5-17)21(22)23/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)/b16-14+
InChI key： BVRCHURJBACNHK-JQIJEIRASA-N
SMILES： CC(C)CCSc1ccc(cc1)/C(=C/c1ccc(cc1)C(=O)O)/C
Systematic name  (3)：
  • 4-[(E)-2-[4-[(3-メチルブチル)チオ]フェニル]-1-プロペニル]安息香酸
  • 4-[(1E)-2-{4-[(3-メチルブチル)スルファニル]フェニル}プロパ-1-エン-1-イル]安息香酸
  • 4-[(1E)-2-{4-[(3-methylbutyl)sulfanyl]phenyl}prop-1-en-1-yl]benzoic acid
Other name (2)：
  • SR-3986
  • 4-[(E)-2-[4-[(3-Methylbutyl)thio]phenyl]-1-propenyl]benzoic acid
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