2-methylhexa-3,5-diyn-2-yl benzoate

Systemtic Name: 2-methylhexa-3,5-diyn-2-yl benzoate Openeye Name: 1,1-dimethylpenta-2,4-diynyl benzoate CAS Name: benzoic acid 2-methylhexa-3,5-diyn-2-yl ester IUPAC Name: 2-methylhexa-3,5-diyn-2-yl benzoate Traditional Name: benzoic acid 1,1-dimethylpenta-2,4-diynyl ester Formula: C14H12O2 MolecularWeight: 212.24388

Click to see the large picture

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/C14H12O2/c1-4-5-11-14(2,3)16-13(15)12-9-7-6-8-10-12/h1,6-10H,2-3H3