hex-4-yn-3-yl 3-methylbenzoate

Systemtic Name: hex-4-yn-3-yl 3-methylbenzoate Openeye Name: 1-ethylbut-2-ynyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 1-ethylbut-2-ynyl ester Formula: C14H16O2 MolecularWeight: 216.27564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O2/c1-4-7-13(5-2)16-14(15)12-9-6-8-11(3)10-12/h6,8-10,13H,5H2,1-3H3