6-oxidanylidenehex-4-yn-3-yl benzoate

Systemtic Name: 6-oxidanylidenehex-4-yn-3-yl benzoate Openeye Name: (1-ethyl-4-oxo-but-2-ynyl) benzoate CAS Name: benzoic acid 6-oxohex-4-yn-3-yl ester IUPAC Name: 6-oxohex-4-yn-3-yl benzoate Traditional Name: benzoic acid (1-ethyl-4-keto-but-2-ynyl) ester Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O3/c1-2-12(9-6-10-14)16-13(15)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2H2,1H3