5-methylhex-3-yn-2-yl benzoate

Systemtic Name: 5-methylhex-3-yn-2-yl benzoate Openeye Name: 1,4-dimethylpent-2-ynyl benzoate CAS Name: benzoic acid 5-methylhex-3-yn-2-yl ester IUPAC Name: 5-methylhex-3-yn-2-yl benzoate Traditional Name: benzoic acid 1,4-dimethylpent-2-ynyl ester Formula: C14H16O2 MolecularWeight: 216.27564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O2/c1-11(2)9-10-12(3)16-14(15)13-7-5-4-6-8-13/h4-8,11-12H,1-3H3