Chem
J-GLOBAL ID:200907034820110112   Nikkaji number:J2.114.545I

4-(Cyclooctyne-3-yloxymethyl)benzoic acid

4-(シクロオクチン-3-イルオキシメチル)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: C16H18O3
Molecular formula furigana: C16-H18-O3
Molecular weight: 258.317
InChI: InChI=1S/C16H18O3/c17-16(18)14-10-8-13(9-11-14)12-19-15-6-4-2-1-3-5-7-15/h8-11,15H,1-4,6,12H2,(H,17,18)
InChI key: JWZHSCDPXRDQOB-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(COC2CCCCCC#C2)cc1
Systematic name  (4):
  • 4-(2-シクロオクチン-1-イルオキシメチル)安息香酸
  • 4-(シクロオクチン-3-イルオキシメチル)安息香酸
  • 4-[(シクロオクタ-2-イン-1-イルオキシ)メチル]安息香酸
  • 4-[(cyclooct-2-yn-1-yloxy)methyl]benzoic acid
Other name (2):
  • 4-(2-Cyclooctyne-1-yloxymethyl)benzoic acid
  • 4-(Cyclooctyne-3-yloxymethyl)benzoic acid
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