Chem
J-GLOBAL ID：200907060815599970   Nikkaji number：J227.578C

RS-2131

α-メチル-4-[((E)-2-オキソシクロヘキシリデン)メチル]フェニル酢酸
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： C16H18O3
Molecular formula furigana： C16-H18-O3
Molecular weight： 258.317
InChI： InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+
InChI key： AUZUGWXLBGZUPP-GXDHUFHOSA-N
SMILES： CC(C(=O)O)c1ccc(/C=C/2\CCCCC2=O)cc1
Systematic name  (4)：
  • α-メチル-4-[((E)-2-オキソシクロヘキシリデン)メチル]ベンゼン酢酸
  • α-メチル-4-[((E)-2-オキソシクロヘキシリデン)メチル]フェニル酢酸
  • 2-(4-{[(1E)-2-オキソシクロヘキシリデン]メチル}フェニル)プロパン酸
  • 2-(4-{[(1E)-2-oxocyclohexylidene]methyl}phenyl)propanoic acid
Other name (3)：
  • RS-2131
  • α-Methyl-4-[((E)-2-oxocyclohexylidene)methyl]phenylacetic acid
  • α-Methyl-4-[((E)-2-oxocyclohexylidene)methyl]benzeneacetic acid
CAS registry number： 69956-77-0
KEGG DRUG： D01865
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