hex-4-yn-3-yl benzoate

Systemtic Name: hex-4-yn-3-yl benzoate Openeye Name: 1-ethylbut-2-ynyl benzoate CAS Name: benzoic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl benzoate Traditional Name: benzoic acid 1-ethylbut-2-ynyl ester Formula: C13H14O2 MolecularWeight: 202.24906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(C#CC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H14O2/c1-3-8-12(4-2)15-13(14)11-9-6-5-7-10-11/h5-7,9-10,12H,4H2,1-2H3