methyl 4-[2-(cyclohexen-1-yl)ethynyl]benzoate

Systemtic Name: methyl 4-[2-(cyclohexen-1-yl)ethynyl]benzoate Openeye Name: methyl 4-[2-(cyclohexen-1-yl)ethynyl]benzoate CAS Name: 4-[2-(1-cyclohexenyl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(cyclohexen-1-yl)ethynyl]benzoate Traditional Name: 4-[2-(cyclohexen-1-yl)ethynyl]benzoic acid methyl ester Formula: C16H16O2 MolecularWeight: 240.29704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC2=CCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC2=CCCCC2

InChI

InChI=1S/C16H16O2/c1-18-16(17)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h5,9-12H,2-4,6H2,1H3