Chem
J-GLOBAL ID:200907000650309863   Nikkaji number:J1.964.111B

Benzoic acid (7β-hydroxy-3-oxo-1-cycloheptenyl)methyl ester

安息香酸(7β-ヒドロキシ-3-オキソ-1-シクロヘプテニル)メチル
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: C15H16O4
Molecular formula furigana: C15-H16-O4
Molecular weight: 260.289
InChI: InChI=1S/C15H16O4/c16-13-7-4-8-14(17)12(9-13)10-19-15(18)11-5-2-1-3-6-11/h1-3,5-6,9,14,17H,4,7-8,10H2/t14-/m1/s1
InChI key: UMHNLXQTMSPRRA-CQSZACIVSA-N
SMILES: O[C@@H]1CCCC(=O)C=C1COC(=O)c1ccccc1
Systematic name  (3):
  • 安息香酸(7β-ヒドロキシ-3-オキソ-1-シクロヘプテニル)メチル
  • [(7R)-7-ヒドロキシ-3-オキソシクロヘプタ-1-エン-1-イル]メチル ベンゾアート
  • [(7R)-7-hydroxy-3-oxocyclohept-1-en-1-yl]methyl benzoate
Other name (1):
  • Benzoic acid (7β-hydroxy-3-oxo-1-cycloheptenyl)methyl ester
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