[4-(2-phenylethynyl)cyclohex-3-en-1-yl] ethanoate

Systemtic Name: [4-(2-phenylethynyl)cyclohex-3-en-1-yl] ethanoate Openeye Name: [4-(2-phenylethynyl)cyclohex-3-en-1-yl] acetate CAS Name: acetic acid [4-(2-phenylethynyl)-1-cyclohex-3-enyl] ester IUPAC Name: [4-(2-phenylethynyl)cyclohex-3-en-1-yl] acetate Traditional Name: acetic acid [4-(2-phenylethynyl)cyclohex-3-en-1-yl] ester Formula: C16H16O2 MolecularWeight: 240.29704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(=CC1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1CCC(=CC1)C#CC2=CC=CC=C2

InChI

InChI=1S/C16H16O2/c1-13(17)18-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9,16H,10-12H2,1H3