2-(1-ethynyl-4-phenyl-cyclohexyl)ethanoate

Systemtic Name: 2-(1-ethynyl-4-phenyl-cyclohexyl)ethanoate Openeye Name: 2-(1-ethynyl-4-phenyl-cyclohexyl)acetate CAS Name: 2-(1-ethynyl-4-phenylcyclohexyl)acetate IUPAC Name: 2-(1-ethynyl-4-phenylcyclohexyl)acetate Traditional Name: 2-(1-ethynyl-4-phenyl-cyclohexyl)acetate Formula: C16H17O2- MolecularWeight: 241.30498

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCC(CC1)C2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

C#CC1(CCC(CC1)C2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C16H18O2/c1-2-16(12-15(17)18)10-8-14(9-11-16)13-6-4-3-5-7-13/h1,3-7,14H,8-12H2,(H,17,18)/p-1