Nombre: cyclooctyne

IUPAC: methyl 4-[(1-fluorocyclooct-2-yn-1-yl)methyl]benzoate

SMILES: COC(=O)c1ccc(CC2(F)C#CCCCCC2)cc1

Canonical SMILES: COC(=O)C1=CC=C(C=C1)CC2(CCCCCC#C2)F

Fórmula molecular: C17H19FO2

Masa molecular: 274.33

InChIKey: ZIIJDIXHTGAFJU-UHFFFAOYSA-N

InChI: InChI=1S/C17H19FO2/c1-20-16(19)15-9-7-14(8-10-15)13-17(18)11-5-3-2-4-6-12-17/h7-10H,2-5,11,13H2,1H3

Sinónimos

SCHEMBL2385792ZIIJDIXHTGAFJU-UHFFFAOYSA-N4-(1-Fluoro-cyclooct-2-ynylmethyl)benzoic acid methyl ester