Chem
J-GLOBAL ID：200907032295635940   Nikkaji number：J1.877.217E

6-Octylpyrene-1-propanoic acid

6-オクチルピレン-1-プロパン酸
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： C27H30O2
Molecular formula furigana： C27-H30-O2
Molecular weight： 386.535
InChI： InChI=1S/C27H30O2/c1-2-3-4-5-6-7-8-19-9-11-21-14-17-24-20(15-18-25(28)29)10-12-22-13-16-23(19)26(21)27(22)24/h9-14,16-17H,2-8,15,18H2,1H3,(H,28,29)
InChI key： IADBKJHXMPBLQS-UHFFFAOYSA-N
SMILES： CCCCCCCCc1ccc2ccc3c(CCC(=O)O)ccc4ccc1c2c34
Systematic name  (4)：
  • 6-オクチルピレン-1-プロパン酸
  • 6-オクチルピレン-1-プロピオン酸
  • 3-(6-オクチルピレン-1-イル)プロパン酸
  • 3-(6-octylpyren-1-yl)propanoic acid
Other name (2)：
  • 6-Octylpyrene-1-propanoic acid
  • 6-Octylpyrene-1-propionic acid
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