[(2S)-but-3-yn-2-yl] octanoate

Systemtic Name: [(2S)-but-3-yn-2-yl] octanoate Openeye Name: [(1S)-1-methylprop-2-ynyl] octanoate CAS Name: octanoic acid [(2S)-but-3-yn-2-yl] ester IUPAC Name: [(2S)-but-3-yn-2-yl] octanoate Traditional Name: caprylic acid [(1S)-1-methylprop-2-ynyl] ester Formula: C12H20O2 MolecularWeight: 196.286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)C#C

Isomeric SMILES

CCCCCCCC(=O)O[C@@H](C)C#C

InChI

InChI=1S/C12H20O2/c1-4-6-7-8-9-10-12(13)14-11(3)5-2/h2,11H,4,6-10H2,1,3H3/t11-/m0/s1