hex-4-yn-3-yl 2-methylbenzoate

Systemtic Name: hex-4-yn-3-yl 2-methylbenzoate Openeye Name: 1-ethylbut-2-ynyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl 2-methylbenzoate Traditional Name: 2-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=C1C

Isomeric SMILES

CCC(C#CC)OC(=O)C1=CC=CC=C1C

InChI

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