ethyl 2-(2-oxidanylethynyl)octanoate

Systemtic Name: ethyl 2-(2-oxidanylethynyl)octanoate Openeye Name: ethyl 2-(2-hydroxyethynyl)octanoate CAS Name: 2-(2-hydroxyethynyl)octanoic acid ethyl ester IUPAC Name: ethyl 2-(2-hydroxyethynyl)octanoate Traditional Name: 2-hexyl-4-hydroxy-but-3-ynoic acid ethyl ester Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C#CO)C(=O)OCC

Isomeric SMILES

CCCCCCC(C#CO)C(=O)OCC

InChI

InChI=1S/C12H20O3/c1-3-5-6-7-8-11(9-10-13)12(14)15-4-2/h11,13H,3-8H2,1-2H3