(1-ethynylcyclohexyl) benzoate

Systemtic Name: (1-ethynylcyclohexyl) benzoate Openeye Name: (1-ethynylcyclohexyl) benzoate CAS Name: benzoic acid (1-ethynylcyclohexyl) ester IUPAC Name: (1-ethynylcyclohexyl) benzoate Traditional Name: benzoic acid (1-ethynylcyclohexyl) ester Formula: C15H16O2 MolecularWeight: 228.28634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C#CC1(CCCCC1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16O2/c1-2-15(11-7-4-8-12-15)17-14(16)13-9-5-3-6-10-13/h1,3,5-6,9-10H,4,7-8,11-12H2