[(E)-2,5-dimethylhept-5-en-3-yn-2-yl] benzoate

Systemtic Name: [(E)-2,5-dimethylhept-5-en-3-yn-2-yl] benzoate Openeye Name: [(E)-1,1,4-trimethylhex-4-en-2-ynyl] benzoate CAS Name: benzoic acid [(E)-2,5-dimethylhept-5-en-3-yn-2-yl] ester IUPAC Name: [(E)-2,5-dimethylhept-5-en-3-yn-2-yl] benzoate Traditional Name: benzoic acid [(E)-1,1,4-trimethylhex-4-en-2-ynyl] ester Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O2/c1-5-13(2)11-12-16(3,4)18-15(17)14-9-7-6-8-10-14/h5-10H,1-4H3/b13-5+