3-methylpent-1-yn-3-yl benzoate

Systemtic Name: 3-methylpent-1-yn-3-yl benzoate Openeye Name: (1-ethyl-1-methyl-prop-2-ynyl) benzoate CAS Name: benzoic acid 3-methylpent-1-yn-3-yl ester IUPAC Name: 3-methylpent-1-yn-3-yl benzoate Traditional Name: benzoic acid (1-ethyl-1-methyl-prop-2-ynyl) ester Formula: C13H14O2 MolecularWeight: 202.24906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O2/c1-4-13(3,5-2)15-12(14)11-9-7-6-8-10-11/h1,6-10H,5H2,2-3H3